1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide

C12H10F2N2O — CID 103586091

IUPAC1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(F)c(NC(=O)C2(C#N)CC2)cc1F
InChIInChI=1S/C12H10F2N2O/c1-7-4-9(14)10(5-8(7)13)16-11(17)12(6-15)2-3-12/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyWRNASYMHSUXNHH-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.52
Rot. Bonds2

About 1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide

1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 103586091) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID103586091
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(F)c(NC(=O)C2(C#N)CC2)cc1F
InChIInChI=1S/C12H10F2N2O/c1-7-4-9(14)10(5-8(7)13)16-11(17)12(6-15)2-3-12/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyWRNASYMHSUXNHH-UHFFFAOYSA-N
XLogP2.52
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-fluoro-4-methylphenyl)-3-cyanooxetane-3-carboxamide
CID 115184615
N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 80598354
1-carbamothioyl-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 103586162
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
CID 80592357
1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide
CID 115181388
1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 80598733
1-cyano-N-(2,5-dimethyl-4-nitrophenyl)cyclopropane-1-carboxamide
CID 103145506
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 51246024
N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 107625940
N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458910
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide (CID 103586091) is 1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide is Cc1cc(F)c(NC(=O)C2(C#N)CC2)cc1F.
What is the InChIKey of 1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is WRNASYMHSUXNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c1-7-4-9(14)10(5-8(7)13)16-11(17)12(6-15)2-3-12/h4-5H,2-3H2,1H3,(H,16,17).
What are the key properties of 1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide?
1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 236.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 103586091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).