4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide

C32H35ClF3N3O3 — CID 10210860

About 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide

4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide (PubChem CID 10210860) has the molecular formula C32H35ClF3N3O3 and a molecular weight of 602.10 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide.

Molecular Properties

• Compound Name: 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide
• PubChem CID: 10210860
• Molecular Formula: C32H35ClF3N3O3
• Molecular Weight: 602.10 g/mol
• Exact Mass: 601.23
• IUPAC Name: 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide
• SMILES: Cc1ccc(C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OCC(F)(F)F)c1
• InChI: InChI=1S/C32H35ClF3N3O3/c1-22-4-13-28(29(20-22)42-21-32(34,35)36)23-14-18-39(19-15-23)17-3-2-16-37-30(40)24-7-11-27(12-8-24)38-31(41)25-5-9-26(33)10-6-25/h4-13,20,23H,2-3,14-19,21H2,1H3,(H,37,40)(H,38,41)
• InChIKey: GGIYDWFMKAPJGV-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.10
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide?

The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide (CID 10210860) is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide.

What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide?

The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide is Cc1ccc(C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OCC(F)(F)F)c1.

What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide?

The InChIKey is GGIYDWFMKAPJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClF3N3O3/c1-22-4-13-28(29(20-22)42-21-32(34,35)36)23-14-18-39(19-15-23)17-3-2-16-37-30(40)24-7-11-27(12-8-24)38-31(41)25-5-9-26(33)10-6-25/h4-13,20,23H,2-3,14-19,21H2,1H3,(H,37,40)(H,38,41).

What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide?

4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide has a molecular weight of 602.10 g/mol, XLogP of 7.23, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 10210860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).