1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

C11H8Cl2N2O — CID 80598456

IUPAC1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C11H8Cl2N2O/c12-7-3-8(13)5-9(4-7)15-10(16)11(6-14)1-2-11/h3-5H,1-2H2,(H,15,16)
InChIKeyWSSMSKCDDHFRHO-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.24
Rot. Bonds2

About 1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 80598456) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID80598456
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C11H8Cl2N2O/c12-7-3-8(13)5-9(4-7)15-10(16)11(6-14)1-2-11/h3-5H,1-2H2,(H,15,16)
InChIKeyWSSMSKCDDHFRHO-UHFFFAOYSA-N
XLogP3.24
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 107366211
1-(1-cyanocyclopentyl)-3-(3,5-dichlorophenyl)urea
CID 107653426
1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide
CID 115181401
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 83087291
N-(2-chloro-5-iodophenyl)-1-cyanocyclopentane-1-carboxamide
CID 113255375
N-(3-bromo-5-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 107583609
1-N'-(3,5-dichlorophenyl)-1-N-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981521
1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
CID 80592357
1-carbamothioyl-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 80591867
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949
1-cyano-N-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 80599421

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 80598456) is 1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is N#CC1(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is WSSMSKCDDHFRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-7-3-8(13)5-9(4-7)15-10(16)11(6-14)1-2-11/h3-5H,1-2H2,(H,15,16).
What are the key properties of 1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 255.10 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80598456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).