1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

C19H27ClN2O2 — CID 109144573

IUPAC1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCc1cc(C)c(NC(=O)C2CCC(C(=O)NC(C)C)CC2)c(Cl)c1
InChIInChI=1S/C19H27ClN2O2/c1-11(2)21-18(23)14-5-7-15(8-6-14)19(24)22-17-13(4)9-12(3)10-16(17)20/h9-11,14-15H,5-8H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyPCVFLLPDEXJLRM-UHFFFAOYSA-N
MW350.89 g/mol
LogP4.23
Rot. Bonds4

About 1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (PubChem CID 109144573) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
PubChem CID109144573
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCc1cc(C)c(NC(=O)C2CCC(C(=O)NC(C)C)CC2)c(Cl)c1
InChIInChI=1S/C19H27ClN2O2/c1-11(2)21-18(23)14-5-7-15(8-6-14)19(24)22-17-13(4)9-12(3)10-16(17)20/h9-11,14-15H,5-8H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyPCVFLLPDEXJLRM-UHFFFAOYSA-N
XLogP4.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide with MolForge

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Related Compounds

1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide
CID 110686145
N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide
CID 100828283
1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144629
N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131910
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide
CID 109132479
N-(2-chloro-6-methyl-4-sulfamoylphenyl)cyclobutanecarboxamide
CID 66255370
N-(2-chloro-4,6-dimethylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132291
1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 31697184
N-(2-chloro-4,6-dimethylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007362
1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 95155199
1-[(2-chlorophenyl)methyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45009186
4-(3-methylpiperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 109150065

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (CID 109144573) is 1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is Cc1cc(C)c(NC(=O)C2CCC(C(=O)NC(C)C)CC2)c(Cl)c1.
What is the InChIKey of 1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The InChIKey is PCVFLLPDEXJLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-11(2)21-18(23)14-5-7-15(8-6-14)19(24)22-17-13(4)9-12(3)10-16(17)20/h9-11,14-15H,5-8H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide has a molecular weight of 350.89 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloro-4,6-dimethylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).