5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide

C31H27ClN4O2 — CID 42808893

About 5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide

5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide (PubChem CID 42808893) has the molecular formula C31H27ClN4O2 and a molecular weight of 523.04 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
• PubChem CID: 42808893
• Molecular Formula: C31H27ClN4O2
• Molecular Weight: 523.04 g/mol
• Exact Mass: 522.18
• IUPAC Name: 5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
• SMILES: Cc1cccc(Cn2c(C(=O)NCCc3ccccn3)cc3cc(NC(=O)c4ccccc4Cl)ccc32)c1
• InChI: InChI=1S/C31H27ClN4O2/c1-21-7-6-8-22(17-21)20-36-28-13-12-25(35-30(37)26-10-2-3-11-27(26)32)18-23(28)19-29(36)31(38)34-16-14-24-9-4-5-15-33-24/h2-13,15,17-19H,14,16,20H2,1H3,(H,34,38)(H,35,37)
• InChIKey: KABQNUKDEYXCNB-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.04
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?

The IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide (CID 42808893) is 5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide.

What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?

The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide is Cc1cccc(Cn2c(C(=O)NCCc3ccccn3)cc3cc(NC(=O)c4ccccc4Cl)ccc32)c1.

What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?

The InChIKey is KABQNUKDEYXCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN4O2/c1-21-7-6-8-22(17-21)20-36-28-13-12-25(35-30(37)26-10-2-3-11-27(26)32)18-23(28)19-29(36)31(38)34-16-14-24-9-4-5-15-33-24/h2-13,15,17-19H,14,16,20H2,1H3,(H,34,38)(H,35,37).

What are the key properties of 5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide?

5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide has a molecular weight of 523.04 g/mol, XLogP of 6.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 42808893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).