3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide

C13H14Cl2N2O — CID 11403391

IUPAC3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)Nc1ccccn1
InChIInChI=1S/C13H14Cl2N2O/c1-13(2)8(7-9(14)15)11(13)12(18)17-10-5-3-4-6-16-10/h3-8,11H,1-2H3,(H,16,17,18)
InChIKeyZHVCHSJHHDNETL-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.61
Rot. Bonds3

About 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide

3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide (PubChem CID 11403391) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide
PubChem CID11403391
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)Nc1ccccn1
InChIInChI=1S/C13H14Cl2N2O/c1-13(2)8(7-9(14)15)11(13)12(18)17-10-5-3-4-6-16-10/h3-8,11H,1-2H3,(H,16,17,18)
InChIKeyZHVCHSJHHDNETL-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 11243487
cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 677652
cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 679853
cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 1161173
2-[[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
CID 6920406
2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
CID 3571392
3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 4021409
cis-(1S,3R)-N-(4-bromophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1368388
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 52536233
cis-(1S,3S)-N-(6-bromo-5-pyrimidin-2-yl-2-pyridinyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 162641020
cis-(1S,3R)-3-(2,2-dichloroethenyl)-N-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 678124
trans-(1S,3S)-3-(2,2-dichloroethenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1101671

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide (CID 11403391) is 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide is CC1(C)C(C=C(Cl)Cl)C1C(=O)Nc1ccccn1.
What is the InChIKey of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
The InChIKey is ZHVCHSJHHDNETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-13(2)8(7-9(14)15)11(13)12(18)17-10-5-3-4-6-16-10/h3-8,11H,1-2H3,(H,16,17,18).
What are the key properties of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide?
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide has a molecular weight of 285.17 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 11403391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).