2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide

C24H27Cl3N2O — CID 23587593

About 2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide

2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide (PubChem CID 23587593) has the molecular formula C24H27Cl3N2O and a molecular weight of 465.85 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
• PubChem CID: 23587593
• Molecular Formula: C24H27Cl3N2O
• Molecular Weight: 465.85 g/mol
• Exact Mass: 464.12
• IUPAC Name: 2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide
• SMILES: O=C(N[C@@H]1CCC[C@H]1N1CCC(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C24H27Cl3N2O/c25-18-6-4-16(5-7-18)14-17-10-12-29(13-11-17)23-3-1-2-22(23)28-24(30)20-9-8-19(26)15-21(20)27/h4-9,15,17,22-23H,1-3,10-14H2,(H,28,30)/t22-,23-/m1/s1
• InChIKey: FUOAWXJTSGKNEK-DHIUTWEWSA-N
• XLogP: 6.25
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.85
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide (CID 23587593) is 2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide is O=C(N[C@@H]1CCC[C@H]1N1CCC(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide?

The InChIKey is FUOAWXJTSGKNEK-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H27Cl3N2O/c25-18-6-4-16(5-7-18)14-17-10-12-29(13-11-17)23-3-1-2-22(23)28-24(30)20-9-8-19(26)15-21(20)27/h4-9,15,17,22-23H,1-3,10-14H2,(H,28,30)/t22-,23-/m1/s1.

What are the key properties of 2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide?

2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide has a molecular weight of 465.85 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzamide is sourced from PubChem (CID 23587593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).