3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide

C30H23ClF3N3O — CID 134172134

About 3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide

3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide (PubChem CID 134172134) has the molecular formula C30H23ClF3N3O and a molecular weight of 533.98 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide
• PubChem CID: 134172134
• Molecular Formula: C30H23ClF3N3O
• Molecular Weight: 533.98 g/mol
• Exact Mass: 533.15
• IUPAC Name: 3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide
• SMILES: Cc1ccc(-n2cc(-c3ccccc3Cl)c3ccc(C(=O)N[C@H](C)c4ccc(C(F)(F)F)nc4)cc32)cc1
• InChI: InChI=1S/C30H23ClF3N3O/c1-18-7-11-22(12-8-18)37-17-25(23-5-3-4-6-26(23)31)24-13-9-20(15-27(24)37)29(38)36-19(2)21-10-14-28(35-16-21)30(32,33)34/h3-17,19H,1-2H3,(H,36,38)/t19-/m1/s1
• InChIKey: PGIQXUVDDNVCBA-LJQANCHMSA-N
• XLogP: 8.16
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.98
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide?

The IUPAC name of 3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide (CID 134172134) is 3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide.

What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide?

The canonical SMILES for 3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide is Cc1ccc(-n2cc(-c3ccccc3Cl)c3ccc(C(=O)N[C@H](C)c4ccc(C(F)(F)F)nc4)cc32)cc1.

What is the InChIKey of 3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide?

The InChIKey is PGIQXUVDDNVCBA-LJQANCHMSA-N. The full InChI is InChI=1S/C30H23ClF3N3O/c1-18-7-11-22(12-8-18)37-17-25(23-5-3-4-6-26(23)31)24-13-9-20(15-27(24)37)29(38)36-19(2)21-10-14-28(35-16-21)30(32,33)34/h3-17,19H,1-2H3,(H,36,38)/t19-/m1/s1.

What are the key properties of 3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide?

3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide has a molecular weight of 533.98 g/mol, XLogP of 8.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide is sourced from PubChem (CID 134172134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).