N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide

C12H19Cl2NO — CID 2852201

IUPACN-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1C(C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C12H19Cl2NO/c1-11(2,3)15-10(16)9-7(6-8(13)14)12(9,4)5/h6-7,9H,1-5H3,(H,15,16)
InChIKeyHOSDHQCITBURAR-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.49
Rot. Bonds2

About N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide

N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 2852201) has the molecular formula C12H19Cl2NO and a molecular weight of 264.20 g/mol. Its IUPAC name is N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID2852201
Molecular FormulaC12H19Cl2NO
Molecular Weight264.20 g/mol
Exact Mass263.08
IUPAC NameN-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1C(C=C(Cl)Cl)C1(C)C
InChIInChI=1S/C12H19Cl2NO/c1-11(2,3)15-10(16)9-7(6-8(13)14)12(9,4)5/h6-7,9H,1-5H3,(H,15,16)
InChIKeyHOSDHQCITBURAR-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-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 N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 2852201) is N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide is CC(C)(C)NC(=O)C1C(C=C(Cl)Cl)C1(C)C.
What is the InChIKey of N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is HOSDHQCITBURAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2NO/c1-11(2,3)15-10(16)9-7(6-8(13)14)12(9,4)5/h6-7,9H,1-5H3,(H,15,16).
What are the key properties of N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 264.20 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 2852201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).