trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide

C15H16Cl3NO — CID 706303

IUPACtrans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1Cl
InChIInChI=1S/C15H16Cl3NO/c1-8-4-5-9(6-11(8)16)19-14(20)13-10(7-12(17)18)15(13,2)3/h4-7,10,13H,1-3H3,(H,19,20)/t10-,13-/m1/s1
InChIKeyYWYTYDYUMRDTGO-ZWNOBZJWSA-N
MW332.66 g/mol
LogP5.18
Rot. Bonds3

About trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide

trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 706303) has the molecular formula C15H16Cl3NO and a molecular weight of 332.66 g/mol. Its IUPAC name is trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID706303
Molecular FormulaC15H16Cl3NO
Molecular Weight332.66 g/mol
Exact Mass331.03
IUPAC Nametrans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1Cl
InChIInChI=1S/C15H16Cl3NO/c1-8-4-5-9(6-11(8)16)19-14(20)13-10(7-12(17)18)15(13,2)3/h4-7,10,13H,1-3H3,(H,19,20)/t10-,13-/m1/s1
InChIKeyYWYTYDYUMRDTGO-ZWNOBZJWSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.66
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-phenylcyclopropane-1-carboxamide
CID 677691
cis-(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[3-methyl-4-[(2-methylphenyl)diazenyl]phenyl]cyclopropane-1-carboxamide
CID 7329409
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
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
2,2-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 24646892
[4-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 4753597
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-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 11243487

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 706303) is trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide is Cc1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1Cl.
What is the InChIKey of trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is YWYTYDYUMRDTGO-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H16Cl3NO/c1-8-4-5-9(6-11(8)16)19-14(20)13-10(7-12(17)18)15(13,2)3/h4-7,10,13H,1-3H3,(H,19,20)/t10-,13-/m1/s1.
What are the key properties of trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide?
trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 332.66 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-N-(3-chloro-4-methylphenyl)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 706303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).