62505958 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 8 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 1 2 3 3 3 4 4 4 5 5 5 6 6 6 7 8 9 9 11 11 12 13 14 14 14 15 15 16 16 17 17 18 19 19 19 7 19 10 9 10 21 13 31 32 7 8 10 8 11 14 12 20 13 15 12 22 23 16 24 25 26 17 27 18 28 18 29 30 33 34 35 1 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 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 2.866 3.732 5.4641 7.1962 4.5981 5.4641 3.732 5.4641 5.4641 4.5981 4.5981 3.732 6.3301 6.3301 4.5981 6.3301 4.5981 5.4641 2 6.001 6.001 4.5981 3.1951 6.0201 6.8671 6.6401 4.0611 6.8671 4.0611 5.4641 7.7331 7.1962 1.69 1.4631 2.31 -1.25 0.25 0.25 1.25 -1.25 -2.75 -1.75 -1.75 1.25 -0.25 -3.25 -2.75 1.75 -3.25 1.75 2.75 2.75 3.25 -1.75 -1.44 -0.06 -3.87 -3.06 -3.7869 -3.56 -2.7131 1.44 3.06 3.06 3.87 1.56 0.63 -1.2131 -2.06 -2.2869 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 9 9 11 13 15 16 17 7 8 8 11 12 13 15 12 16 17 18 18 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 309 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371E0733000000000000000000000000000000000000000306000000000000000014000001E00100000000C0C81980232C682C00400880225525000820800252200088801067CC80C6636C4B59B94316866F411C8E98798C8608E20000200000800204000040000100040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-methoxy-5-methyl-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-methoxy-5-methylbenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-aminophenyl)-2-methoxy-5-methylbenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-methoxy-5-methylbenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-methoxy-5-methyl-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-methoxy-5-methyl-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H16N2O2/c1-10-7-8-14(19-2)11(9-10)15(18)17-13-6-4-3-5-12(13)16/h3-9H,16H2,1-2H3,(H,17,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LANDZXZOSJJVSY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 256.121177757 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H16N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 256.30 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1)OC)C(=O)NC2=CC=CC=C2N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(C=C1)OC)C(=O)NC2=CC=CC=C2N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 64.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 256.121177757 19 0 0 0 0 0 0 0 1 -1