2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide

C21H23ClN2O2 — CID 52666272

IUPAC2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1Cl
InChIInChI=1S/C21H23ClN2O2/c1-23-21(26)18-13-17(11-12-19(18)22)24-20(25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3,(H,23,26)(H,24,25)
InChIKeyLIBIHNFMHSHUNB-UHFFFAOYSA-N
MW370.88 g/mol
LogP5.00
Rot. Bonds4

About 2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide

2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide (PubChem CID 52666272) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide
PubChem CID52666272
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1Cl
InChIInChI=1S/C21H23ClN2O2/c1-23-21(26)18-13-17(11-12-19(18)22)24-20(25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3,(H,23,26)(H,24,25)
InChIKeyLIBIHNFMHSHUNB-UHFFFAOYSA-N
XLogP5.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide 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 2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide (CID 52666272) is 2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide is CNC(=O)c1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide?
The InChIKey is LIBIHNFMHSHUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-23-21(26)18-13-17(11-12-19(18)22)24-20(25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide?
2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide has a molecular weight of 370.88 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide is sourced from PubChem (CID 52666272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).