3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide

C14H13Cl4NO — CID 4021409

IUPAC3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl4NO/c1-14(2)8(6-11(17)18)12(14)13(20)19-7-3-4-9(15)10(16)5-7/h3-6,8,12H,1-2H3,(H,19,20)
InChIKeyBYHVBOKYMMJGHU-UHFFFAOYSA-N
MW353.08 g/mol
LogP5.52
Rot. Bonds3

About 3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide

3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 4021409) has the molecular formula C14H13Cl4NO and a molecular weight of 353.08 g/mol. Its IUPAC name is 3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID4021409
Molecular FormulaC14H13Cl4NO
Molecular Weight353.08 g/mol
Exact Mass350.98
IUPAC Name3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl4NO/c1-14(2)8(6-11(17)18)12(14)13(20)19-7-3-4-9(15)10(16)5-7/h3-6,8,12H,1-2H3,(H,19,20)
InChIKeyBYHVBOKYMMJGHU-UHFFFAOYSA-N
XLogP5.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.08
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 706303
cis-(1S,3R)-N-(4-bromophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1368388
cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-phenylcyclopropane-1-carboxamide
CID 677691
cis-(1R,3S)-3-(2,2-dichloroethenyl)-N-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 678125
cis-(1S,3R)-3-(2,2-dichloroethenyl)-N-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 678124
4-[[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
CID 7453301
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-pyridin-3-ylcyclopropane-1-carboxamide
CID 674063
trans-(1S,3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1115926
cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[3-methyl-4-[(2-methylphenyl)diazenyl]phenyl]cyclopropane-1-carboxamide
CID 7329409
N-(3-acetamidophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18150617
[4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 4753597

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 4021409) is 3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)C(C=C(Cl)Cl)C1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is BYHVBOKYMMJGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl4NO/c1-14(2)8(6-11(17)18)12(14)13(20)19-7-3-4-9(15)10(16)5-7/h3-6,8,12H,1-2H3,(H,19,20).
What are the key properties of 3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 353.08 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dichloroethenyl)-N-(3,4-dichlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 4021409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).