3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide

C30H26F2N2O2 — CID 92987122

About 3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide

3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide (PubChem CID 92987122) has the molecular formula C30H26F2N2O2 and a molecular weight of 484.55 g/mol. Its IUPAC name is 3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
• PubChem CID: 92987122
• Molecular Formula: C30H26F2N2O2
• Molecular Weight: 484.55 g/mol
• Exact Mass: 484.20
• IUPAC Name: 3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
• SMILES: C[C@@H](NC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1)c1ccccc1
• InChI: InChI=1S/C30H26F2N2O2/c1-21(24-6-3-2-4-7-24)33-29(35)18-22-12-16-28(17-13-22)34(20-23-10-14-26(31)15-11-23)30(36)25-8-5-9-27(32)19-25/h2-17,19,21H,18,20H2,1H3,(H,33,35)/t21-/m1/s1
• InChIKey: LQWFYJZTHMYPHT-OAQYLSRUSA-N
• XLogP: 6.23
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.55
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide?

The IUPAC name of 3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide (CID 92987122) is 3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide.

What is the SMILES notation for 3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide?

The canonical SMILES for 3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide is C[C@@H](NC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1)c1ccccc1.

What is the InChIKey of 3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide?

The InChIKey is LQWFYJZTHMYPHT-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H26F2N2O2/c1-21(24-6-3-2-4-7-24)33-29(35)18-22-12-16-28(17-13-22)34(20-23-10-14-26(31)15-11-23)30(36)25-8-5-9-27(32)19-25/h2-17,19,21H,18,20H2,1H3,(H,33,35)/t21-/m1/s1.

What are the key properties of 3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide?

3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide has a molecular weight of 484.55 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 92987122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).