70160973 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 30 31 32 33 34 8 7 7 6 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 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 7 7 8 8 9 10 10 11 12 12 13 13 14 14 15 15 16 17 18 18 18 17 6 17 26 9 30 31 5 6 8 7 19 20 10 12 13 9 21 11 11 22 23 14 24 15 25 16 27 16 28 29 18 32 33 34 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 2 1 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 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 8.0622 6.3301 6.3301 5.4641 4.5981 6.3301 3.732 5.4641 6.3301 7.1962 7.1962 2.866 3.732 2 2.866 2 7.1962 7.1962 4.9966 4.1996 4.9272 7.7331 7.7331 2.866 4.269 5.7932 1.4631 2.866 1.4631 6.8671 5.7932 7.8162 7.1962 6.5762 1.405 1.405 -2.595 -0.095 0.405 0.405 -0.095 -1.095 -1.595 -0.095 -1.095 0.405 -1.095 -0.095 -1.595 -1.095 1.905 2.905 0.8799 0.8799 -1.405 0.215 -1.405 1.025 -1.405 1.715 0.215 -2.215 -1.405 -2.905 -2.905 2.905 3.525 2.905 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 7 7 8 9 10 12 13 14 15 6 8 10 12 13 9 11 11 14 15 16 16 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 274 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0732000000000000000000000000000000000000000306000000000000000014000001E00100000000C0881980032C082C00000880225525000820000210200088800006488082022C09191842008609400C8C8071080C00E00008040000200000001008000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-amino-2-benzyl-phenyl)acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-amino-2-(phenylmethyl)phenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4-amino-2-benzylphenyl)acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-amino-2-benzylphenyl)acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-azanyl-2-(phenylmethyl)phenyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-amino-2-benzyl-phenyl)acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H16N2O/c1-11(18)17-15-8-7-14(16)10-13(15)9-12-5-3-2-4-6-12/h2-8,10H,9,16H2,1H3,(H,17,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MXKYWTIIFURYIF-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.126263138 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H16N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.30 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=C(C=C(C=C1)N)CC2=CC=CC=C2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=C(C=C(C=C1)N)CC2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 55.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.126263138 18 0 0 0 0 0 0 0 1 -1