4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide

C21H23ClN2O2 — CID 109150478

IUPAC4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-14-5-11-18(12-6-14)23-20(25)15-7-9-16(10-8-15)21(26)24-19-4-2-3-17(22)13-19/h2-6,11-13,15-16H,7-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyWHXCJLSYXYRSHY-UHFFFAOYSA-N
MW370.88 g/mol
LogP5.03
Rot. Bonds4

About 4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide

4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150478) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150478
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H23ClN2O2/c1-14-5-11-18(12-6-14)23-20(25)15-7-9-16(10-8-15)21(26)24-19-4-2-3-17(22)13-19/h2-6,11-13,15-16H,7-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyWHXCJLSYXYRSHY-UHFFFAOYSA-N
XLogP5.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.88
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-chlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144371
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967452
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
N-(3-chlorophenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062148
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
4-N-(3-chlorophenyl)-1-N-(3-methoxypropyl)cyclohexane-1,4-dicarboxamide
CID 109146679
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109150478) is 4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide is Cc1ccc(NC(=O)C2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is WHXCJLSYXYRSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14-5-11-18(12-6-14)23-20(25)15-7-9-16(10-8-15)21(26)24-19-4-2-3-17(22)13-19/h2-6,11-13,15-16H,7-10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide?
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 370.88 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).