22379 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 17 8 7 7 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 2 3 3 3 4 4 4 5 5 5 5 6 6 7 7 7 8 8 8 9 9 9 11 11 12 12 13 14 14 15 15 15 16 16 17 13 10 6 8 24 10 11 30 6 7 18 19 20 21 9 22 23 10 25 26 27 28 29 12 13 14 15 16 17 31 32 33 34 17 35 36 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 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 5.4641 5.4641 5.4641 3.732 6.3301 5.4641 6.3301 4.5981 7.1962 4.5981 3.732 2.866 4.5981 2.866 2 4.5981 3.732 6.5422 6.9407 5.252 4.8535 6.1181 5.7196 6.001 4.386 3.9875 7.5062 7.7331 6.8862 3.1951 2.3291 2.31 1.4631 1.69 5.135 3.732 -2 -1 1 -1 2.5 2 3.5 0.5 4 -0.5 -2 -2.5 -2.5 -3.5 -2 -3.5 -4 1.9174 2.6077 2.5826 1.8923 4.0826 3.3923 0.69 1.0826 0.3923 3.4631 4.31 4.5369 -0.69 -3.81 -1.4631 -1.69 -2.5369 -3.81 -4.62 8 8 8 8 8 8 11 11 12 13 14 16 12 13 14 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 236 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0732000040000000000000000000000000000000000300000000000000000010000001E02100000000C0AC1982432C082C00000880225525000820000210500088880884688086022C193B1D42008609400C8C8071080000E00000020000200100000004000040020000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(butylamino)-N-(2-chloro-6-methyl-phenyl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(butylamino)-<I>N</I>-(2-chloro-6-methylphenyl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(butylamino)-N-(2-chloranyl-6-methyl-phenyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(butylamino)-N-(2-chloro-6-methyl-phenyl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VWYQKFLLGRBICZ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 254.1185909 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C13H19ClN2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 254.75 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCNCC(=O)NC1=C(C=CC=C1Cl)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCNCC(=O)NC1=C(C=CC=C1Cl)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 41.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 254.1185909 17 0 0 0 0 0 0 0 1 -1