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

C19H25ClN2O2 — CID 109132479

IUPAC1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide
SMILESCc1cc(C)c(NC(=O)C2CC2C(=O)NC2CCCCC2)c(Cl)c1
InChIInChI=1S/C19H25ClN2O2/c1-11-8-12(2)17(16(20)9-11)22-19(24)15-10-14(15)18(23)21-13-6-4-3-5-7-13/h8-9,13-15H,3-7,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBMSPERYXTNKXSR-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.98
Rot. Bonds4

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

1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide (PubChem CID 109132479) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide
PubChem CID109132479
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide
SMILESCc1cc(C)c(NC(=O)C2CC2C(=O)NC2CCCCC2)c(Cl)c1
InChIInChI=1S/C19H25ClN2O2/c1-11-8-12(2)17(16(20)9-11)22-19(24)15-10-14(15)18(23)21-13-6-4-3-5-7-13/h8-9,13-15H,3-7,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBMSPERYXTNKXSR-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132291
N-(2-chloro-4,6-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131910
2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143237
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142871
2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide
CID 108993493
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
2-N-cyclopentyl-1-N-(3,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132157
2-N-cyclopropyl-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130914
N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide
CID 109013703
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143240
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137253

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide (CID 109132479) is 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide is Cc1cc(C)c(NC(=O)C2CC2C(=O)NC2CCCCC2)c(Cl)c1.
What is the InChIKey of 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide?
The InChIKey is BMSPERYXTNKXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-11-8-12(2)17(16(20)9-11)22-19(24)15-10-14(15)18(23)21-13-6-4-3-5-7-13/h8-9,13-15H,3-7,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide?
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide has a molecular weight of 348.87 g/mol, XLogP of 3.98, 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)-2-N-cyclohexylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109132479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).