2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid

C46H40Cl2F6I2N16O5 — CID 161378263

About 2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid

2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid (PubChem CID 161378263) has the molecular formula C46H40Cl2F6I2N16O5 and a molecular weight of 1335.63 g/mol. Its IUPAC name is 2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid
• PubChem CID: 161378263
• Molecular Formula: C46H40Cl2F6I2N16O5
• Molecular Weight: 1335.63 g/mol
• Exact Mass: 1334.07
• IUPAC Name: 2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid
• SMILES: CCNC(=O)c1cc(I)cc(C)c1N.CCNC(=O)c1cc(I)cc(C)c1NC(=O)c1cc(Cn2cc(C(F)(F)F)nn2)nn1-c1ncccc1Cl.O=C(O)c1cc(Cn2cc(C(F)(F)F)nn2)nn1-c1ncccc1Cl
• InChI: InChI=1S/C23H19ClF3IN8O2.C13H8ClF3N6O2.C10H13IN2O/c1-3-29-21(37)15-8-13(28)7-12(2)19(15)31-22(38)17-9-14(10-35-11-18(32-34-35)23(25,26)27)33-36(17)20-16(24)5-4-6-30-20;14-8-2-1-3-18-11(8)23-9(12(24)25)4-7(20-23)5-22-6-10(19-21-22)13(15,16)17;1-3-13-10(14)8-5-7(11)4-6(2)9(8)12/h4-9,11H,3,10H2,1-2H3,(H,29,37)(H,31,38);1-4,6H,5H2,(H,24,25);4-5H,3,12H2,1-2H3,(H,13,14)
• InChIKey: VRJFIYNUQAGWQA-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 273.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1335.63
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid?

The IUPAC name of 2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid (CID 161378263) is 2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid.

What is the SMILES notation for 2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid?

The canonical SMILES for 2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid is CCNC(=O)c1cc(I)cc(C)c1N.CCNC(=O)c1cc(I)cc(C)c1NC(=O)c1cc(Cn2cc(C(F)(F)F)nn2)nn1-c1ncccc1Cl.O=C(O)c1cc(Cn2cc(C(F)(F)F)nn2)nn1-c1ncccc1Cl.

What is the InChIKey of 2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid?

The InChIKey is VRJFIYNUQAGWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3IN8O2.C13H8ClF3N6O2.C10H13IN2O/c1-3-29-21(37)15-8-13(28)7-12(2)19(15)31-22(38)17-9-14(10-35-11-18(32-34-35)23(25,26)27)33-36(17)20-16(24)5-4-6-30-20;14-8-2-1-3-18-11(8)23-9(12(24)25)4-7(20-23)5-22-6-10(19-21-22)13(15,16)17;1-3-13-10(14)8-5-7(11)4-6(2)9(8)12/h4-9,11H,3,10H2,1-2H3,(H,29,37)(H,31,38);1-4,6H,5H2,(H,24,25);4-5H,3,12H2,1-2H3,(H,13,14).

What are the key properties of 2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid?

2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid has a molecular weight of 1335.63 g/mol, XLogP of 8.70, 13 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-ethyl-5-iodo-3-methylbenzamide;1-(3-chloro-2-pyridinyl)-N-[2-(ethylcarbamoyl)-4-iodo-6-methylphenyl]-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 161378263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).