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

C33H31FN2O — CID 92917262

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

(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide (PubChem CID 92917262) has the molecular formula C33H31FN2O and a molecular weight of 490.62 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide.

Molecular Properties

• Compound Name: (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
• PubChem CID: 92917262
• Molecular Formula: C33H31FN2O
• Molecular Weight: 490.62 g/mol
• Exact Mass: 490.24
• IUPAC Name: (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
• SMILES: Cc1ccc(Cn2cc([C@H](CC(=O)NCCc3ccccc3)c3ccc(F)cc3)c3ccccc32)cc1
• InChI: InChI=1S/C33H31FN2O/c1-24-11-13-26(14-12-24)22-36-23-31(29-9-5-6-10-32(29)36)30(27-15-17-28(34)18-16-27)21-33(37)35-20-19-25-7-3-2-4-8-25/h2-18,23,30H,19-22H2,1H3,(H,35,37)/t30-/m1/s1
• InChIKey: YWLQGXAFOIPFFN-SSEXGKCCSA-N
• XLogP: 7.02
• TPSA: 34.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.62
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide (CID 92917262) is (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide.

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

The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide is Cc1ccc(Cn2cc([C@H](CC(=O)NCCc3ccccc3)c3ccc(F)cc3)c3ccccc32)cc1.

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

The InChIKey is YWLQGXAFOIPFFN-SSEXGKCCSA-N. The full InChI is InChI=1S/C33H31FN2O/c1-24-11-13-26(14-12-24)22-36-23-31(29-9-5-6-10-32(29)36)30(27-15-17-28(34)18-16-27)21-33(37)35-20-19-25-7-3-2-4-8-25/h2-18,23,30H,19-22H2,1H3,(H,35,37)/t30-/m1/s1.

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

(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide has a molecular weight of 490.62 g/mol, XLogP of 7.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 92917262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).