2-cyano-3,4-difluorobenzamide

C8H4F2N2O — CID 131009208

IUPAC2-cyano-3,4-difluorobenzamide
SMILESN#Cc1c(C(N)=O)ccc(F)c1F
InChIInChI=1S/C8H4F2N2O/c9-6-2-1-4(8(12)13)5(3-11)7(6)10/h1-2H,(H2,12,13)
InChIKeyCPOHWWHMGGKLAS-UHFFFAOYSA-N
MW182.13 g/mol
LogP0.94
Rot. Bonds1

About 2-cyano-3,4-difluorobenzamide

2-cyano-3,4-difluorobenzamide (PubChem CID 131009208) has the molecular formula C8H4F2N2O and a molecular weight of 182.13 g/mol. Its IUPAC name is 2-cyano-3,4-difluorobenzamide.

Molecular Properties

Compound Name2-cyano-3,4-difluorobenzamide
PubChem CID131009208
Molecular FormulaC8H4F2N2O
Molecular Weight182.13 g/mol
Exact Mass182.03
IUPAC Name2-cyano-3,4-difluorobenzamide
SMILESN#Cc1c(C(N)=O)ccc(F)c1F
InChIInChI=1S/C8H4F2N2O/c9-6-2-1-4(8(12)13)5(3-11)7(6)10/h1-2H,(H2,12,13)
InChIKeyCPOHWWHMGGKLAS-UHFFFAOYSA-N
XLogP0.94
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-3-fluoro-4-iodobenzamide
CID 171021891
3-cyano-4-fluoro-2-(trifluoromethyl)benzamide
CID 171015989
3-cyano-2-fluoro-4-(trifluoromethyl)benzamide
CID 171015886
2-carbamothioyl-3,4-difluorobenzamide
CID 174710522
2,6-difluoro-3-(2,2,2-trifluoroacetyl)benzonitrile
CID 83410573
5-cyano-2-fluorobenzamide;hydrochloride
CID 165153570
formyl fluoride;2,3,6-trifluorobenzonitrile
CID 174393196
5-cyano-2,3-difluorobenzamide
CID 131008452
2-cyano-4-formyl-3-(trifluoromethyl)benzamide
CID 171011932
methyl 3-cyano-4-fluoro-2-hydroxybenzoate
CID 131165349
6-acetyl-3-fluoro-2-iodobenzonitrile
CID 171021340
methyl 2-cyano-4-fluoro-3-methoxybenzoate
CID 134649611

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3,4-difluorobenzamide?
The IUPAC name of 2-cyano-3,4-difluorobenzamide (CID 131009208) is 2-cyano-3,4-difluorobenzamide.
What is the SMILES notation for 2-cyano-3,4-difluorobenzamide?
The canonical SMILES for 2-cyano-3,4-difluorobenzamide is N#Cc1c(C(N)=O)ccc(F)c1F.
What is the InChIKey of 2-cyano-3,4-difluorobenzamide?
The InChIKey is CPOHWWHMGGKLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O/c9-6-2-1-4(8(12)13)5(3-11)7(6)10/h1-2H,(H2,12,13).
What are the key properties of 2-cyano-3,4-difluorobenzamide?
2-cyano-3,4-difluorobenzamide has a molecular weight of 182.13 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3,4-difluorobenzamide is sourced from PubChem (CID 131009208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).