2,3-difluoro-4-methylbenzamide

C8H7F2NO — CID 2774139

IUPAC2,3-difluoro-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(F)c1F
InChIInChI=1S/C8H7F2NO/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,1H3,(H2,11,12)
InChIKeyJWPKXGWPXBRCLL-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.37
Rot. Bonds1

About 2,3-difluoro-4-methylbenzamide

2,3-difluoro-4-methylbenzamide (PubChem CID 2774139) has the molecular formula C8H7F2NO and a molecular weight of 171.15 g/mol. Its IUPAC name is 2,3-difluoro-4-methylbenzamide.

Molecular Properties

Compound Name2,3-difluoro-4-methylbenzamide
PubChem CID2774139
Molecular FormulaC8H7F2NO
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2,3-difluoro-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(F)c1F
InChIInChI=1S/C8H7F2NO/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,1H3,(H2,11,12)
InChIKeyJWPKXGWPXBRCLL-UHFFFAOYSA-N
XLogP1.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-methylbenzamide?
The IUPAC name of 2,3-difluoro-4-methylbenzamide (CID 2774139) is 2,3-difluoro-4-methylbenzamide.
What is the SMILES notation for 2,3-difluoro-4-methylbenzamide?
The canonical SMILES for 2,3-difluoro-4-methylbenzamide is Cc1ccc(C(N)=O)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-methylbenzamide?
The InChIKey is JWPKXGWPXBRCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,1H3,(H2,11,12).
What are the key properties of 2,3-difluoro-4-methylbenzamide?
2,3-difluoro-4-methylbenzamide has a molecular weight of 171.15 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-methylbenzamide is sourced from PubChem (CID 2774139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).