cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide

C14H14Cl3NO — CID 677652

IUPACcis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H14Cl3NO/c1-14(2)8(7-11(16)17)12(14)13(19)18-10-6-4-3-5-9(10)15/h3-8,12H,1-2H3,(H,18,19)/t8-,12+/m1/s1
InChIKeyHJHVXCXUGNXTQE-PELKAZGASA-N
MW318.63 g/mol
LogP4.87
Rot. Bonds3

About cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide

cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 677652) has the molecular formula C14H14Cl3NO and a molecular weight of 318.63 g/mol. Its IUPAC name is cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID677652
Molecular FormulaC14H14Cl3NO
Molecular Weight318.63 g/mol
Exact Mass317.01
IUPAC Namecis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H14Cl3NO/c1-14(2)8(7-11(16)17)12(14)13(19)18-10-6-4-3-5-9(10)15/h3-8,12H,1-2H3,(H,18,19)/t8-,12+/m1/s1
InChIKeyHJHVXCXUGNXTQE-PELKAZGASA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.63
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 679853
2-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
CID 3571392
2-[[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
CID 6920406
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[2,2,2-trichloro-1-[(2-chlorophenyl)carbamothioylamino]ethyl]cyclopropane-1-carboxamide
CID 45128928
trans-(1S,3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1115926
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 11403391
cis-(1S,3R)-N-(4-bromophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 1368388
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
4-[[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]benzoate
CID 7453301
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
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 11243487

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 677652) is cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1Cl.
What is the InChIKey of cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is HJHVXCXUGNXTQE-PELKAZGASA-N. The full InChI is InChI=1S/C14H14Cl3NO/c1-14(2)8(7-11(16)17)12(14)13(19)18-10-6-4-3-5-9(10)15/h3-8,12H,1-2H3,(H,18,19)/t8-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 318.63 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-(2-chlorophenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 677652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).