1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide

C22H25ClN2O2 — CID 109147946

IUPAC1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O2/c1-15-7-12-19(23)13-20(15)25-22(27)18-10-8-17(9-11-18)21(26)24-14-16-5-3-2-4-6-16/h2-7,12-13,17-18H,8-11,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyFHUPSLMARCAQDN-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.71
Rot. Bonds5

About 1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide

1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109147946) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109147946
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H25ClN2O2/c1-15-7-12-19(23)13-20(15)25-22(27)18-10-8-17(9-11-18)21(26)24-14-16-5-3-2-4-6-16/h2-7,12-13,17-18H,8-11,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyFHUPSLMARCAQDN-UHFFFAOYSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148994
4-N-(4-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148995
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
(3S)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502393
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144375
N-[3-[[[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 24574544
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45016956
4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149525

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109147946) is 1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is FHUPSLMARCAQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-15-7-12-19(23)13-20(15)25-22(27)18-10-8-17(9-11-18)21(26)24-14-16-5-3-2-4-6-16/h2-7,12-13,17-18H,8-11,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).