N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide

C32H37FN2O — CID 92992411

About N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide

N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 92992411) has the molecular formula C32H37FN2O and a molecular weight of 484.66 g/mol. Its IUPAC name is N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

• Compound Name: N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
• PubChem CID: 92992411
• Molecular Formula: C32H37FN2O
• Molecular Weight: 484.66 g/mol
• Exact Mass: 484.29
• IUPAC Name: N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
• SMILES: Cc1ccccc1[C@H]1CN(Cc2cccc(F)c2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1
• InChI: InChI=1S/C32H37FN2O/c1-24-11-8-9-18-30(24)31-23-34(20-25-12-10-15-28(33)19-25)21-27(31)22-35(29-16-6-3-7-17-29)32(36)26-13-4-2-5-14-26/h2,4-5,8-15,18-19,27,29,31H,3,6-7,16-17,20-23H2,1H3/t27-,31+/m1/s1
• InChIKey: WTEHJWYQSSVQEZ-JOMNFKBKSA-N
• XLogP: 6.82
• TPSA: 23.55 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.66
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?

The IUPAC name of N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (CID 92992411) is N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.

What is the SMILES notation for N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?

The canonical SMILES for N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is Cc1ccccc1[C@H]1CN(Cc2cccc(F)c2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?

The InChIKey is WTEHJWYQSSVQEZ-JOMNFKBKSA-N. The full InChI is InChI=1S/C32H37FN2O/c1-24-11-8-9-18-30(24)31-23-34(20-25-12-10-15-28(33)19-25)21-27(31)22-35(29-16-6-3-7-17-29)32(36)26-13-4-2-5-14-26/h2,4-5,8-15,18-19,27,29,31H,3,6-7,16-17,20-23H2,1H3/t27-,31+/m1/s1.

What are the key properties of N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?

N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 484.66 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-[[(3R,4S)-1-[(3-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 92992411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).