364845 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 17 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 4 5 5 7 7 8 8 9 9 10 11 11 12 12 13 13 14 15 15 16 16 17 10 6 6 7 20 5 6 18 19 8 9 10 11 12 21 13 22 15 16 23 14 24 14 25 26 17 27 17 28 29 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 2 5.4641 3.732 4.5981 5.4641 4.5981 3.732 6.3301 5.4641 2.866 4.5981 7.1962 6.3301 7.1962 2.866 4.5981 3.732 4.386 3.9875 3.1951 6.3301 4.9272 5.135 7.7331 6.3301 7.7331 2.3291 5.135 3.732 -1.25 -0.25 -0.25 1.25 1.75 0.25 -1.25 1.25 2.75 -1.75 -1.75 1.75 3.25 2.75 -2.75 -2.75 -3.25 1.8326 1.1423 0.06 0.63 3.06 -1.44 1.44 3.87 3.06 -3.06 -3.06 -3.87 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 8 9 10 11 12 13 15 16 8 9 10 11 12 13 15 16 14 14 17 17 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 251 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0722000040000000000000000000000000000000000306000000000000000014000001E02100000000C0A81982030C082C00000880225525000820000210700088801006688082032C19791C42008609400C8C8071888808E00000000000000100000000000000020000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2-chlorophenyl)-2-phenyl-acetamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2-chlorophenyl)-2-phenylacetamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2-chlorophenyl)-2-phenylacetamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2-chlorophenyl)-2-phenyl-ethanamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N-(2-chlorophenyl)-2-phenyl-acetamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C14H12ClNO/c15-12-8-4-5-9-13(12)16-14(17)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 KAIXZODWVKLCBD-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 245.060742 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C14H12ClNO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 245.70418 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2Cl 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 2011.09.13 245.060742 17 0 0 0 0 0 0 0 1 3