904 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 8 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 6 6 7 7 8 9 10 10 10 9 3 9 13 4 5 6 11 7 12 8 14 8 15 16 10 17 18 19 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 4.5981 2.866 2.866 2 3.732 2 3.732 2.866 3.732 3.732 1.4631 4.269 2.3291 1.4631 4.269 2.866 4.352 3.732 3.112 0.75 0.75 -0.25 -0.75 -0.75 -1.75 -1.75 -2.25 1.25 2.25 -0.44 -0.44 1.06 -2.06 -2.06 -2.87 2.25 2.87 2.25 8 8 8 8 8 8 3 3 4 5 6 7 4 5 6 7 8 8 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 116 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0722000000000000000000000000000000000000000300000000000000000010000001E0010000000080881900032C082C00000880025525000820000210200088800006488082022C09191842008609400C8C8071000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N-phenylacetamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N-phenylacetamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N-phenylacetamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N-phenylethanamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N-phenylacetamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 FZERHIULMFGESH-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 135.068414 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C8H9NO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 135.16316 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(=O)NC1=CC=CC=C1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(=O)NC1=CC=CC=C1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 29.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 135.068414 10 0 0 0 0 0 0 0 1 3