2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide

C12H19Cl2NO — CID 78838416

IUPAC2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1CC1(Cl)Cl)C1CCCCC1
InChIInChI=1S/C12H19Cl2NO/c1-2-15(9-6-4-3-5-7-9)11(16)10-8-12(10,13)14/h9-10H,2-8H2,1H3
InChIKeyYJLIFLLMOJQFPX-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.36
Rot. Bonds3

About 2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide

2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide (PubChem CID 78838416) has the molecular formula C12H19Cl2NO and a molecular weight of 264.20 g/mol. Its IUPAC name is 2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
PubChem CID78838416
Molecular FormulaC12H19Cl2NO
Molecular Weight264.20 g/mol
Exact Mass263.08
IUPAC Name2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1CC1(Cl)Cl)C1CCCCC1
InChIInChI=1S/C12H19Cl2NO/c1-2-15(9-6-4-3-5-7-9)11(16)10-8-12(10,13)14/h9-10H,2-8H2,1H3
InChIKeyYJLIFLLMOJQFPX-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-ethylcyclobutanecarboxamide
CID 78833458
1-N,4-N-dicyclopentyl-1-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 55587581
N-cyclohexyl-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 78833407
N-cyclopentyl-N-ethylcarbamoyl chloride
CID 15335411
2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 16792487
chloromethyl N-cyclohexyl-N-ethylcarbamate
CID 66648792
1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437222
3-amino-N-cyclohexyl-N-ethylcyclohexane-1-carboxamide;hydrochloride
CID 119674160
N-cyclohexyl-N-ethyl-2,2-difluoroacetamide
CID 103515263
N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
CID 20752264
3-chloro-N-cyclopentyl-N-ethylpropanamide
CID 43541097
N-cyclohexyl-N-ethyl-2-methylsulfanylpropanamide
CID 78874136

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide (CID 78838416) is 2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide is CCN(C(=O)C1CC1(Cl)Cl)C1CCCCC1.
What is the InChIKey of 2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide?
The InChIKey is YJLIFLLMOJQFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2NO/c1-2-15(9-6-4-3-5-7-9)11(16)10-8-12(10,13)14/h9-10H,2-8H2,1H3.
What are the key properties of 2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide?
2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide has a molecular weight of 264.20 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 78838416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).