69821521 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 17 17 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 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 11 12 13 13 14 14 15 16 16 17 17 18 18 19 19 20 9 12 10 7 7 10 13 21 11 9 10 12 11 14 15 16 17 15 22 23 18 24 19 25 20 26 20 27 28 1 1 2 1 2 1 1 1 1 1 1 2 2 1 1 2 1 2 1 1 1 1 2 1 2 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 2.866 6.3301 3.732 2.866 2 5.4641 2.866 4.5981 3.732 4.5981 3.732 5.4641 5.4641 4.5981 5.4641 6.3301 4.5981 6.3301 4.5981 5.4641 6.001 4.5981 6.001 6.8671 4.0611 6.8671 4.0611 5.4641 -0.75 -0.75 0.75 -3.75 -2.25 0.75 -2.75 -0.75 -1.25 0.25 -2.25 -1.25 1.75 -2.75 -2.25 2.25 2.25 3.25 3.25 3.75 0.44 -3.37 -2.56 1.94 1.94 3.56 3.56 4.37 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 11 12 13 13 14 16 17 18 19 9 12 11 14 15 16 17 15 18 19 20 20 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 369 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 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 00000371C0733000060000000000000000000000000000000000306000000000000000014000001E02140000000C0A81982030C082D040008902255253008200002507002888010066CA082032C19791842108609400C8CD071C88008E00004040008100100000808001020020000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2,6-dichloro-3-nitro-N-phenyl-benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2,6-dichloro-3-nitro-N-phenylbenzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2,6-dichloro-3-nitro-<I>N</I>-phenylbenzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2,6-dichloro-3-nitro-N-phenylbenzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2,6-bis(chloranyl)-3-nitro-N-phenyl-benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2,6-dichloro-3-nitro-N-phenyl-benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H8Cl2N2O3/c14-9-6-7-10(17(19)20)12(15)11(9)13(18)16-8-4-2-1-3-5-8/h1-7H,(H,16,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QCOAQHTZSDLTTQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 309.9911975 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H8Cl2N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 311.12 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2Cl)[N+](=O)[O-])Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2Cl)[N+](=O)[O-])Cl 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 2021.05.07 309.9911975 20 0 0 0 0 0 0 0 1 -1