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

C32H36ClN3O5 — CID 10120923

IUPAC4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide
SMILESCOc1ccc(C(=O)C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OC)c1
InChIInChI=1S/C32H36ClN3O5/c1-40-27-13-14-28(29(21-27)41-2)30(37)22-15-19-36(20-16-22)18-4-3-17-34-31(38)23-7-11-26(12-8-23)35-32(39)24-5-9-25(33)10-6-24/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,34,38)(H,35,39)
InChIKeyXBJGUDXTOVZAKH-UHFFFAOYSA-N
MW578.11 g/mol
LogP5.71
Rot. Bonds12

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

4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide (PubChem CID 10120923) has the molecular formula C32H36ClN3O5 and a molecular weight of 578.11 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide
PubChem CID10120923
Molecular FormulaC32H36ClN3O5
Molecular Weight578.11 g/mol
Exact Mass577.23
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide
SMILESCOc1ccc(C(=O)C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OC)c1
InChIInChI=1S/C32H36ClN3O5/c1-40-27-13-14-28(29(21-27)41-2)30(37)22-15-19-36(20-16-22)18-4-3-17-34-31(38)23-7-11-26(12-8-23)35-32(39)24-5-9-25(33)10-6-24/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,34,38)(H,35,39)
InChIKeyXBJGUDXTOVZAKH-UHFFFAOYSA-N
XLogP5.71
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.11
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide (CID 10120923) is 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide is COc1ccc(C(=O)C2CCN(CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(OC)c1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide?
The InChIKey is XBJGUDXTOVZAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN3O5/c1-40-27-13-14-28(29(21-27)41-2)30(37)22-15-19-36(20-16-22)18-4-3-17-34-31(38)23-7-11-26(12-8-23)35-32(39)24-5-9-25(33)10-6-24/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,34,38)(H,35,39).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide?
4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide has a molecular weight of 578.11 g/mol, XLogP of 5.71, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2,4-dimethoxybenzoyl)piperidin-1-yl]butyl]benzamide is sourced from PubChem (CID 10120923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).