2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide

C9H15Cl2NO — CID 78783668

IUPAC2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C9H15Cl2NO/c1-4-12(5-2)7(13)8(3)6-9(8,10)11/h4-6H2,1-3H3
InChIKeyFAJDUAXGAVMFGL-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.44
Rot. Bonds3

About 2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide (PubChem CID 78783668) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide
PubChem CID78783668
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C9H15Cl2NO/c1-4-12(5-2)7(13)8(3)6-9(8,10)11/h4-6H2,1-3H3
InChIKeyFAJDUAXGAVMFGL-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide (CID 78783668) is 2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide is CCN(CC)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide?
The InChIKey is FAJDUAXGAVMFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-4-12(5-2)7(13)8(3)6-9(8,10)11/h4-6H2,1-3H3.
What are the key properties of 2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide has a molecular weight of 224.13 g/mol, XLogP of 2.44, 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,N-diethyl-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 78783668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).