5-cyano-2,3-difluorobenzamide

C8H4F2N2O — CID 131008452

IUPAC5-cyano-2,3-difluorobenzamide
SMILESN#Cc1cc(F)c(F)c(C(N)=O)c1
InChIInChI=1S/C8H4F2N2O/c9-6-2-4(3-11)1-5(7(6)10)8(12)13/h1-2H,(H2,12,13)
InChIKeyCVXURJVPLWDXRE-UHFFFAOYSA-N
MW182.13 g/mol
LogP0.94
Rot. Bonds1

About 5-cyano-2,3-difluorobenzamide

5-cyano-2,3-difluorobenzamide (PubChem CID 131008452) has the molecular formula C8H4F2N2O and a molecular weight of 182.13 g/mol. Its IUPAC name is 5-cyano-2,3-difluorobenzamide.

Molecular Properties

Compound Name5-cyano-2,3-difluorobenzamide
PubChem CID131008452
Molecular FormulaC8H4F2N2O
Molecular Weight182.13 g/mol
Exact Mass182.03
IUPAC Name5-cyano-2,3-difluorobenzamide
SMILESN#Cc1cc(F)c(F)c(C(N)=O)c1
InChIInChI=1S/C8H4F2N2O/c9-6-2-4(3-11)1-5(7(6)10)8(12)13/h1-2H,(H2,12,13)
InChIKeyCVXURJVPLWDXRE-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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Frequently Asked Questions

What is the IUPAC name of 5-cyano-2,3-difluorobenzamide?
The IUPAC name of 5-cyano-2,3-difluorobenzamide (CID 131008452) is 5-cyano-2,3-difluorobenzamide.
What is the SMILES notation for 5-cyano-2,3-difluorobenzamide?
The canonical SMILES for 5-cyano-2,3-difluorobenzamide is N#Cc1cc(F)c(F)c(C(N)=O)c1.
What is the InChIKey of 5-cyano-2,3-difluorobenzamide?
The InChIKey is CVXURJVPLWDXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O/c9-6-2-4(3-11)1-5(7(6)10)8(12)13/h1-2H,(H2,12,13).
What are the key properties of 5-cyano-2,3-difluorobenzamide?
5-cyano-2,3-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 5-cyano-2,3-difluorobenzamide is sourced from PubChem (CID 131008452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).