2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide

C8H13Cl2NO — CID 130627558

IUPAC2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide
SMILESCCN(C)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C8H13Cl2NO/c1-4-11(3)6(12)7(2)5-8(7,9)10/h4-5H2,1-3H3
InChIKeyDGTBUFLJNIYNPM-UHFFFAOYSA-N
MW210.10 g/mol
LogP2.05
Rot. Bonds2

About 2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide

2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide (PubChem CID 130627558) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is 2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide
PubChem CID130627558
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide
SMILESCCN(C)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C8H13Cl2NO/c1-4-11(3)6(12)7(2)5-8(7,9)10/h4-5H2,1-3H3
InChIKeyDGTBUFLJNIYNPM-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 52.05
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

[(1R)-2,2-dichloro-1-methylcyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 1770365
(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 95235951
2,2-dichloro-N-ethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78858761
2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78865272
N-butyl-2,2-dichloro-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78868725
2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78882906
2,2-dichloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78882931
N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78884120
(2,2-Dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone
CID 130612894
2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide
CID 47031210
(2,2-Dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone
CID 4117823
(2,2-Dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 4244250

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide (CID 130627558) is 2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide is CCN(C)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide?
The InChIKey is DGTBUFLJNIYNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c1-4-11(3)6(12)7(2)5-8(7,9)10/h4-5H2,1-3H3.
What are the key properties of 2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide?
2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide has a molecular weight of 210.10 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 130627558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).