67230383 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 17 9 8 8 8 7 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 4 -1 7 1 1 2 3 4 5 6 6 6 7 8 8 8 9 9 10 10 12 12 13 14 14 15 16 16 16 17 17 18 18 19 20 20 21 19 11 7 7 11 14 25 13 9 10 11 12 16 13 22 15 23 15 17 18 24 26 27 28 19 29 20 30 21 21 31 1 1 2 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 2 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 30 31 4.5981 2.866 2.866 5.4641 6.3301 4.5981 5.4641 3.732 2.866 4.5981 3.732 2.866 4.5981 4.5981 3.732 2 3.732 5.4641 3.732 5.4641 4.5981 5.135 2.3291 3.732 5.135 2.31 1.4631 1.69 3.1951 6.001 6.001 4.25 3.25 0.25 -4.25 -2.75 0.25 -3.25 -1.25 -1.75 -1.75 -0.25 -2.75 -2.75 1.25 -3.25 -1.25 1.75 1.75 2.75 2.75 3.25 -1.44 -3.06 -3.87 -0.06 -0.7131 -0.94 -1.7869 1.44 1.44 3.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 10 12 13 14 14 17 18 19 20 9 10 12 13 15 15 17 18 19 20 21 21 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 404 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733100040000000000000000000000000000000000306000000000000000014000001F02140000000C0A81982832C082D040008902255253008200002507002888010066CA082032C19791842108609400C8C9871C88808E88004040001000001000808000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-chloro-3-fluoro-phenyl)-2-methyl-5-nitro-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-chloro-3-fluorophenyl)-2-methyl-5-nitrobenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4-chloro-3-fluorophenyl)-2-methyl-5-nitrobenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-chloro-3-fluorophenyl)-2-methyl-5-nitrobenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-chloranyl-3-fluoranyl-phenyl)-2-methyl-5-nitro-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-chloro-3-fluoro-phenyl)-2-methyl-5-nitro-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H10ClFN2O3/c1-8-2-4-10(18(20)21)7-11(8)14(19)17-9-3-5-12(15)13(16)6-9/h2-7H,1H3,(H,17,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RBYBDPCBODKBNX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.0363980 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H10ClFN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.69 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Cl)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)Cl)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 74.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.0363980 21 0 0 0 0 0 0 0 1 -1