2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide

C9H15Cl2NO — CID 78843881

IUPAC2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(C)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C9H15Cl2NO/c1-6(2)12(4)7(13)8(3)5-9(8,10)11/h6H,5H2,1-4H3
InChIKeyPOBOLBCCKTVYNW-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.44
Rot. Bonds2

About 2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide

2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 78843881) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID78843881
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(C)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C9H15Cl2NO/c1-6(2)12(4)7(13)8(3)5-9(8,10)11/h6H,5H2,1-4H3
InChIKeyPOBOLBCCKTVYNW-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}

Analyze 2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide (CID 78843881) is 2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)N(C)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is POBOLBCCKTVYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-6(2)12(4)7(13)8(3)5-9(8,10)11/h6H,5H2,1-4H3.
What are the key properties of 2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide?
2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 224.13 g/mol, XLogP of 2.44, 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,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 78843881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).