1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide

C20H17ClF3N3O — CID 143866892

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide (PubChem CID 143866892) has the molecular formula C20H17ClF3N3O and a molecular weight of 407.82 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
• PubChem CID: 143866892
• Molecular Formula: C20H17ClF3N3O
• Molecular Weight: 407.82 g/mol
• Exact Mass: 407.10
• IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
• SMILES: Cc1ccc([C@@H](C)NC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1
• InChI: InChI=1S/C20H17ClF3N3O/c1-12-5-7-14(8-6-12)13(2)26-19(28)17-4-3-9-27(17)18-16(21)10-15(11-25-18)20(22,23)24/h3-11,13H,1-2H3,(H,26,28)/t13-/m1/s1
• InChIKey: KAKVTCQRHAJJHF-CYBMUJFWSA-N
• XLogP: 5.34
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.82
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide?

The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide (CID 143866892) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide.

What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide?

The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide is Cc1ccc([C@@H](C)NC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1.

What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide?

The InChIKey is KAKVTCQRHAJJHF-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H17ClF3N3O/c1-12-5-7-14(8-6-12)13(2)26-19(28)17-4-3-9-27(17)18-16(21)10-15(11-25-18)20(22,23)24/h3-11,13H,1-2H3,(H,26,28)/t13-/m1/s1.

What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide?

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 407.82 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 143866892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).