4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

C18H25ClN2O2 — CID 109144375

IUPAC4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C18H25ClN2O2/c1-3-10-20-17(22)13-4-6-14(7-5-13)18(23)21-16-9-8-15(19)11-12(16)2/h8-9,11,13-14H,3-7,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYOLJEERZQXEBLP-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.92
Rot. Bonds5

About 4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (PubChem CID 109144375) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
PubChem CID109144375
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C18H25ClN2O2/c1-3-10-20-17(22)13-4-6-14(7-5-13)18(23)21-16-9-8-15(19)11-12(16)2/h8-9,11,13-14H,3-7,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYOLJEERZQXEBLP-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-N-(4-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149846
4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144433
4-N-(4-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148995
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380
4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145123
4-N-(4-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147825
N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027098
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148994
4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146575

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (CID 109144375) is 4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is CCCNC(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1.
What is the InChIKey of 4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The InChIKey is YOLJEERZQXEBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-3-10-20-17(22)13-4-6-14(7-5-13)18(23)21-16-9-8-15(19)11-12(16)2/h8-9,11,13-14H,3-7,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide has a molecular weight of 336.86 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).