N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone

C51H45ClF3N9O11 — CID 161208302

About N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone

N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone (PubChem CID 161208302) has the molecular formula C51H45ClF3N9O11 and a molecular weight of 1052.42 g/mol. Its IUPAC name is N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone.

Molecular Properties

• Compound Name: N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone
• PubChem CID: 161208302
• Molecular Formula: C51H45ClF3N9O11
• Molecular Weight: 1052.42 g/mol
• Exact Mass: 1051.29
• IUPAC Name: N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone
• SMILES: CC(=O)Nc1cc(C(C)=O)ccc1[N+](=O)[O-].CC(=O)Nc1cccc(C(C)=O)c1.CC(=O)c1ccc([N+](=O)[O-])c(N)c1.CC(=O)c1ccc2nc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)[nH]c2c1
• InChI: InChI=1S/C23H16ClF3N4O2.C10H10N2O4.C10H11NO2.C8H8N2O3/c1-11-15(5-8-20(28-11)23(25,26)27)22(33)29-14-4-6-17(24)16(10-14)21-30-18-7-3-13(12(2)32)9-19(18)31-21;1-6(13)8-3-4-10(12(15)16)9(5-8)11-7(2)14;1-7(12)9-4-3-5-10(6-9)11-8(2)13;1-5(11)6-2-3-8(10(12)13)7(9)4-6/h3-10H,1-2H3,(H,29,33)(H,30,31);3-5H,1-2H3,(H,11,14);3-6H,1-2H3,(H,11,13);2-4H,9H2,1H3
• InChIKey: UVWYSPQTIIGGOR-UHFFFAOYSA-N
• XLogP: 11.04
• TPSA: 309.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1052.42
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'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-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone?

The IUPAC name of N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone (CID 161208302) is N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone.

What is the SMILES notation for N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone?

The canonical SMILES for N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone is CC(=O)Nc1cc(C(C)=O)ccc1[N+](=O)[O-].CC(=O)Nc1cccc(C(C)=O)c1.CC(=O)c1ccc([N+](=O)[O-])c(N)c1.CC(=O)c1ccc2nc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)[nH]c2c1.

What is the InChIKey of N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone?

The InChIKey is UVWYSPQTIIGGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O2.C10H10N2O4.C10H11NO2.C8H8N2O3/c1-11-15(5-8-20(28-11)23(25,26)27)22(33)29-14-4-6-17(24)16(10-14)21-30-18-7-3-13(12(2)32)9-19(18)31-21;1-6(13)8-3-4-10(12(15)16)9(5-8)11-7(2)14;1-7(12)9-4-3-5-10(6-9)11-8(2)13;1-5(11)6-2-3-8(10(12)13)7(9)4-6/h3-10H,1-2H3,(H,29,33)(H,30,31);3-5H,1-2H3,(H,11,14);3-6H,1-2H3,(H,11,13);2-4H,9H2,1H3.

What are the key properties of N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone?

N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone has a molecular weight of 1052.42 g/mol, XLogP of 11.04, 11 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(5-acetyl-2-nitrophenyl)acetamide;N-(3-acetylphenyl)acetamide;1-(3-amino-4-nitrophenyl)ethanone is sourced from PubChem (CID 161208302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).