4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide

C19H27ClN2O2 — CID 109145328

IUPAC4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)NCC(C)C)CC2)cc1Cl
InChIInChI=1S/C19H27ClN2O2/c1-12(2)11-21-18(23)14-5-7-15(8-6-14)19(24)22-16-9-4-13(3)17(20)10-16/h4,9-10,12,14-15H,5-8,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWSJVAWPAVFAGJY-UHFFFAOYSA-N
MW350.89 g/mol
LogP4.17
Rot. Bonds5

About 4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide

4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109145328) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
PubChem CID109145328
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)NCC(C)C)CC2)cc1Cl
InChIInChI=1S/C19H27ClN2O2/c1-12(2)11-21-18(23)14-5-7-15(8-6-14)19(24)22-16-9-4-13(3)17(20)10-16/h4,9-10,12,14-15H,5-8,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyWSJVAWPAVFAGJY-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145314
N-[4-(3-chloro-4-methylanilino)phenyl]cyclopropanecarboxamide
CID 112987129
4-N-(4-bromophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145333
4-N-(2,5-dichlorophenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145381
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148824
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922996
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146300
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide (CID 109145328) is 4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide is Cc1ccc(NC(=O)C2CCC(C(=O)NCC(C)C)CC2)cc1Cl.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is WSJVAWPAVFAGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-12(2)11-21-18(23)14-5-7-15(8-6-14)19(24)22-16-9-4-13(3)17(20)10-16/h4,9-10,12,14-15H,5-8,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide?
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 350.89 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).