(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide

C32H28F2N2O — CID 92957100

About (3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide

(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide (PubChem CID 92957100) has the molecular formula C32H28F2N2O and a molecular weight of 494.59 g/mol. Its IUPAC name is (3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide.

Molecular Properties

• Compound Name: (3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
• PubChem CID: 92957100
• Molecular Formula: C32H28F2N2O
• Molecular Weight: 494.59 g/mol
• Exact Mass: 494.22
• IUPAC Name: (3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
• SMILES: Cc1cccc([C@@H](CC(=O)NCc2ccc(F)cc2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1
• InChI: InChI=1S/C32H28F2N2O/c1-22-5-4-6-25(17-22)29(18-32(37)35-19-23-9-13-26(33)14-10-23)30-21-36(31-8-3-2-7-28(30)31)20-24-11-15-27(34)16-12-24/h2-17,21,29H,18-20H2,1H3,(H,35,37)/t29-/m1/s1
• InChIKey: HIAOIWYBKURREX-GDLZYMKVSA-N
• XLogP: 7.11
• TPSA: 34.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.59
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide?

The IUPAC name of (3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide (CID 92957100) is (3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide.

What is the SMILES notation for (3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide?

The canonical SMILES for (3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide is Cc1cccc([C@@H](CC(=O)NCc2ccc(F)cc2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1.

What is the InChIKey of (3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide?

The InChIKey is HIAOIWYBKURREX-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H28F2N2O/c1-22-5-4-6-25(17-22)29(18-32(37)35-19-23-9-13-26(33)14-10-23)30-21-36(31-8-3-2-7-28(30)31)20-24-11-15-27(34)16-12-24/h2-17,21,29H,18-20H2,1H3,(H,35,37)/t29-/m1/s1.

What are the key properties of (3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide?

(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide has a molecular weight of 494.59 g/mol, XLogP of 7.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 92957100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).