1.0 2016-10-03 18:12:24 UTC 2020-04-22 15:42:32 UTC BMDB0010715 BMDB10715 2-Phenylacetamide alpha-Phenylacetamide a-Phenylacetamide Α-phenylacetamide alpha-Toluamide Benzeneacetamide Phenyl-beta-acetylamine Phenylacetamide Phenylacetic acid amide a-Toluamide Α-toluamide Phenyl-b-acetylamine Phenyl-β-acetylamine Phenylacetate amide (alpha-)2-Phenylacetamide 2-Phenyl-acetamide alpha-Toluimidic acid beta-Phenyl-acetylamine C8H9NO 135.1632 135.068413915 2-phenylacetamide phenylacetamide 103-81-1 NC(=O)CC1=CC=CC=C1 InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) LSBDFXRDZJMBSC-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. Organic compounds Benzenoids Benzene and substituted derivatives Phenylacetamides Phenylacetamides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary carboxylic acid amides Aromatic homomonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylacetamide Primary carboxylic acid amide Aromatic homomonocyclic compounds a small molecule monocarboxylic acid amide Solid logp 0.64 ALOGPS logs -1.55 ALOGPS logp 0.8 ChemAxon pka_strongest_acidic 16.5 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 2-phenylacetamide ChemAxon average_mass 135.1632 ChemAxon mono_mass 135.068413915 ChemAxon smiles NC(=O)CC1=CC=CC=C1 ChemAxon formula C8H9NO ChemAxon inchi InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10) ChemAxon inchikey LSBDFXRDZJMBSC-UHFFFAOYSA-N ChemAxon polar_surface_area 43.09 ChemAxon refractivity 39.19 ChemAxon polarizability 14.17 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 1135 Specdb::CMs 1147 Specdb::CMs 22113 Specdb::CMs 31547 Specdb::CMs 31548 Specdb::CMs 32193 Specdb::CMs 156721 Specdb::MsIr 2462 Specdb::MsIr 2463 Specdb::MsIr 2464 Specdb::NmrOneD 92492 Specdb::NmrOneD 92493 Specdb::NmrOneD 92494 Specdb::NmrOneD 92495 Specdb::NmrOneD 92496 Specdb::NmrOneD 92497 Specdb::NmrOneD 92498 Specdb::NmrOneD 92499 Specdb::NmrOneD 92500 Specdb::NmrOneD 92501 Specdb::NmrOneD 92502 Specdb::NmrOneD 92503 Specdb::NmrOneD 92504 Specdb::NmrOneD 92505 Specdb::NmrOneD 92506 Specdb::NmrOneD 92507 Specdb::NmrOneD 92508 Specdb::NmrOneD 92509 Specdb::NmrOneD 92510 Specdb::NmrOneD 92511 Specdb::MsMs 315097 Specdb::MsMs 315098 Specdb::MsMs 315099 Specdb::MsMs 360994 Specdb::MsMs 360995 Specdb::MsMs 360996 Specdb::MsMs 2226426 Specdb::MsMs 2228270 Specdb::MsMs 2228792 Specdb::MsMs 2230673 Specdb::MsMs 2231078 Specdb::MsMs 2233104 Specdb::MsMs 2233510 Specdb::MsMs 2235445 Specdb::MsMs 2254459 Specdb::MsMs 2256098 Specdb::MsMs 2294286 Specdb::MsMs 2294287 Specdb::MsMs 2294288 Specdb::MsMs 2641447 Specdb::MsMs 2641448 Specdb::MsMs 2641449 7397 7680 C02505 16562 CPD-238 FDB027865 Acetanilide