2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide

C6H7Cl4NO — CID 54160360

IUPAC2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C6H7Cl4NO/c1-11(2)4(12)3-5(7,8)6(3,9)10/h3H,1-2H3
InChIKeyONZCHSGOCCIBME-UHFFFAOYSA-N
MW250.94 g/mol
LogP2.05
Rot. Bonds1

About 2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide

2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide (PubChem CID 54160360) has the molecular formula C6H7Cl4NO and a molecular weight of 250.94 g/mol. Its IUPAC name is 2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide
PubChem CID54160360
Molecular FormulaC6H7Cl4NO
Molecular Weight250.94 g/mol
Exact Mass248.93
IUPAC Name2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C6H7Cl4NO/c1-11(2)4(12)3-5(7,8)6(3,9)10/h3H,1-2H3
InChIKeyONZCHSGOCCIBME-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.94
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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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide (CID 54160360) is 2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide is CN(C)C(=O)C1C(Cl)(Cl)C1(Cl)Cl.
What is the InChIKey of 2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide?
The InChIKey is ONZCHSGOCCIBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl4NO/c1-11(2)4(12)3-5(7,8)6(3,9)10/h3H,1-2H3.
What are the key properties of 2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide?
2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide has a molecular weight of 250.94 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrachloro-N,N-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 54160360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).