1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide

C11H8F2N2O — CID 80598733

IUPAC1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(F)c2F)CC1
InChIInChI=1S/C11H8F2N2O/c12-7-2-1-3-8(9(7)13)15-10(16)11(6-14)4-5-11/h1-3H,4-5H2,(H,15,16)
InChIKeyZFKQYOMFTKBBFA-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.21
Rot. Bonds2

About 1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide

1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 80598733) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID80598733
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cccc(F)c2F)CC1
InChIInChI=1S/C11H8F2N2O/c12-7-2-1-3-8(9(7)13)15-10(16)11(6-14)4-5-11/h1-3H,4-5H2,(H,15,16)
InChIKeyZFKQYOMFTKBBFA-UHFFFAOYSA-N
XLogP2.21
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(2-fluoro-3-methylphenyl)-3-methylcyclobutane-1-carboxamide
CID 113351969
N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 80598354
1-[(2,3-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095401
1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250
1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 78994957
N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 107625940
1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
CID 80592357
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720
N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
CID 103479524
N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458910
1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61208643
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide (CID 80598733) is 1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide is N#CC1(C(=O)Nc2cccc(F)c2F)CC1.
What is the InChIKey of 1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is ZFKQYOMFTKBBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-7-2-1-3-8(9(7)13)15-10(16)11(6-14)4-5-11/h1-3H,4-5H2,(H,15,16).
What are the key properties of 1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide?
1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 222.19 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80598733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).