3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide

C31H23ClF4N2O — CID 83278658

About 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide

3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide (PubChem CID 83278658) has the molecular formula C31H23ClF4N2O and a molecular weight of 550.98 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide.

Molecular Properties

• Compound Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide
• PubChem CID: 83278658
• Molecular Formula: C31H23ClF4N2O
• Molecular Weight: 550.98 g/mol
• Exact Mass: 550.14
• IUPAC Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide
• SMILES: O=C(CC(c1ccc(Cl)c(C(F)(F)F)c1)c1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccccc1
• InChI: InChI=1S/C31H23ClF4N2O/c32-28-15-12-21(16-27(28)31(34,35)36)25(17-30(39)37-23-6-2-1-3-7-23)26-19-38(29-9-5-4-8-24(26)29)18-20-10-13-22(33)14-11-20/h1-16,19,25H,17-18H2,(H,37,39)
• InChIKey: LMPLTUSFBZXTIV-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 34.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.98
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide?

The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide (CID 83278658) is 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide.

What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide?

The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide is O=C(CC(c1ccc(Cl)c(C(F)(F)F)c1)c1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccccc1.

What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide?

The InChIKey is LMPLTUSFBZXTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23ClF4N2O/c32-28-15-12-21(16-27(28)31(34,35)36)25(17-30(39)37-23-6-2-1-3-7-23)26-19-38(29-9-5-4-8-24(26)29)18-20-10-13-22(33)14-11-20/h1-16,19,25H,17-18H2,(H,37,39).

What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide?

3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide has a molecular weight of 550.98 g/mol, XLogP of 8.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide is sourced from PubChem (CID 83278658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).