N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine

C65H47Cl3F9N15O9 — CID 158390099

About N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine

N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine (PubChem CID 158390099) has the molecular formula C65H47Cl3F9N15O9 and a molecular weight of 1459.53 g/mol. Its IUPAC name is N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine.

Molecular Properties

• Compound Name: N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine
• PubChem CID: 158390099
• Molecular Formula: C65H47Cl3F9N15O9
• Molecular Weight: 1459.53 g/mol
• Exact Mass: 1457.26
• IUPAC Name: N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine
• SMILES: CC(=O)Nc1ccc2nc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)[nH]c2c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(C=O)c1.Nc1ccc([N+](=O)[O-])cc1N
• InChI: InChI=1S/C23H17ClF3N5O2.C21H13ClF3N5O3.C15H10ClF3N2O2.C6H7N3O2/c1-11-15(5-8-20(28-11)23(25,26)27)22(34)30-13-3-6-17(24)16(9-13)21-31-18-7-4-14(29-12(2)33)10-19(18)32-21;1-10-13(4-7-18(26-10)21(23,24)25)20(31)27-11-2-5-15(22)14(8-11)19-28-16-6-3-12(30(32)33)9-17(16)29-19;1-8-11(3-5-13(20-8)15(17,18)19)14(23)21-10-2-4-12(16)9(6-10)7-22;7-5-2-1-4(9(10)11)3-6(5)8/h3-10H,1-2H3,(H,29,33)(H,30,34)(H,31,32);2-9H,1H3,(H,27,31)(H,28,29);2-7H,1H3,(H,21,23);1-3H,7-8H2
• InChIKey: GWVTVHYOCQXJEJ-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 367.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1459.53
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine?

The IUPAC name of N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine (CID 158390099) is N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine.

What is the SMILES notation for N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine?

The canonical SMILES for N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine is CC(=O)Nc1ccc2nc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)[nH]c2c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(C=O)c1.Nc1ccc([N+](=O)[O-])cc1N.

What is the InChIKey of N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine?

The InChIKey is GWVTVHYOCQXJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N5O2.C21H13ClF3N5O3.C15H10ClF3N2O2.C6H7N3O2/c1-11-15(5-8-20(28-11)23(25,26)27)22(34)30-13-3-6-17(24)16(9-13)21-31-18-7-4-14(29-12(2)33)10-19(18)32-21;1-10-13(4-7-18(26-10)21(23,24)25)20(31)27-11-2-5-15(22)14(8-11)19-28-16-6-3-12(30(32)33)9-17(16)29-19;1-8-11(3-5-13(20-8)15(17,18)19)14(23)21-10-2-4-12(16)9(6-10)7-22;7-5-2-1-4(9(10)11)3-6(5)8/h3-10H,1-2H3,(H,29,33)(H,30,34)(H,31,32);2-9H,1H3,(H,27,31)(H,28,29);2-7H,1H3,(H,21,23);1-3H,7-8H2.

What are the key properties of N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine?

N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine has a molecular weight of 1459.53 g/mol, XLogP of 16.47, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6-acetamido-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-formylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-nitro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;4-nitrobenzene-1,2-diamine is sourced from PubChem (CID 158390099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).