(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide

C29H31FN2O — CID 92957580

About (3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide

(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide (PubChem CID 92957580) has the molecular formula C29H31FN2O and a molecular weight of 442.58 g/mol. Its IUPAC name is (3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

• Compound Name: (3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
• PubChem CID: 92957580
• Molecular Formula: C29H31FN2O
• Molecular Weight: 442.58 g/mol
• Exact Mass: 442.24
• IUPAC Name: (3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
• SMILES: Cc1cccc([C@@H](CC(=O)NCC(C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1
• InChI: InChI=1S/C29H31FN2O/c1-20(2)17-31-29(33)16-26(23-8-6-7-21(3)15-23)27-19-32(28-10-5-4-9-25(27)28)18-22-11-13-24(30)14-12-22/h4-15,19-20,26H,16-18H2,1-3H3,(H,31,33)/t26-/m1/s1
• InChIKey: HWQZAJSLAUDDAE-AREMUKBSSA-N
• XLogP: 6.43
• TPSA: 34.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.58
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?

The IUPAC name of (3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide (CID 92957580) is (3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide.

What is the SMILES notation for (3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?

The canonical SMILES for (3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide is Cc1cccc([C@@H](CC(=O)NCC(C)C)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1.

What is the InChIKey of (3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?

The InChIKey is HWQZAJSLAUDDAE-AREMUKBSSA-N. The full InChI is InChI=1S/C29H31FN2O/c1-20(2)17-31-29(33)16-26(23-8-6-7-21(3)15-23)27-19-32(28-10-5-4-9-25(27)28)18-22-11-13-24(30)14-12-22/h4-15,19-20,26H,16-18H2,1-3H3,(H,31,33)/t26-/m1/s1.

What are the key properties of (3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide?

(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide has a molecular weight of 442.58 g/mol, XLogP of 6.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 92957580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).