21352771 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 35 36 37 38 39 40 41 42 43 44 45 46 8 8 8 7 7 7 6 6 6 6 6 6 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 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 8 9 9 10 10 11 11 11 12 12 12 15 15 16 17 17 18 18 19 19 20 20 21 22 22 23 24 25 25 26 27 27 27 22 27 13 14 7 13 28 8 14 29 21 42 43 8 9 10 15 30 16 31 14 17 20 13 18 19 16 32 33 21 34 23 35 24 36 25 37 26 23 24 38 39 26 40 41 44 45 46 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 2 2 1 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 35 36 37 38 39 40 41 42 43 44 45 46 2.866 6.3301 10.6603 7.1962 8.9282 11.5263 8.0622 8.9282 8.0622 9.7942 9.7942 5.4641 6.3301 9.7942 8.9282 9.7942 10.6603 4.5981 5.4641 8.9282 10.6603 3.732 3.732 4.5981 8.9282 9.7942 2 7.1962 8.3913 7.5252 10.3312 8.9282 10.3312 11.1972 4.5981 6.001 8.3913 3.1951 4.5981 8.3913 9.7942 11.5263 12.0632 1.69 1.4631 2.31 -0.06 -3.06 -0.56 -1.56 -0.56 2.94 -2.06 -1.56 -3.06 -2.06 0.94 -1.56 -2.06 -0.06 -3.56 -3.06 1.44 -2.06 -0.56 1.44 2.44 -0.56 -1.56 -0.06 2.44 2.94 -0.56 -0.94 -0.25 -3.37 -1.75 -4.18 -3.37 1.13 -2.68 -0.25 1.13 -1.87 0.56 2.75 3.56 3.56 2.63 -0.0231 -0.87 -1.0969 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 9 10 11 11 12 12 15 17 18 19 20 21 22 22 25 8 9 10 15 16 17 20 18 19 16 21 23 24 25 26 23 24 26 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 505 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003060C0000000000000015000001E00100000000C0C81980232C682C00400880225525000820800252200088801067CC80C6632C4B59B94312864D411C8E9879CDC02CE20000040000000204000008000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-amino-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-amino-N-[2-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-amino-<I>N</I>-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-amino-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-azanyl-N-[2-[(4-methoxyphenyl)carbonylamino]phenyl]benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-amino-N-[2-(p-anisoylamino)phenyl]benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H19N3O3/c1-27-17-11-9-14(10-12-17)20(25)23-18-7-2-3-8-19(18)24-21(26)15-5-4-6-16(22)13-15/h2-13H,22H2,1H3,(H,23,25)(H,24,26) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZXOQCTQDOPKFQB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.14264148 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H19N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 93.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.14264148 27 0 0 0 0 0 0 0 1 -1