3,4-difluorobenzamide

C7H5F2NO — CID 522832

IUPAC3,4-difluorobenzamide
SMILESNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
InChIKeyCMWOHNIHUBDEAG-UHFFFAOYSA-N
MW157.12 g/mol
LogP1.06
Rot. Bonds1

About 3,4-difluorobenzamide

3,4-difluorobenzamide (PubChem CID 522832) has the molecular formula C7H5F2NO and a molecular weight of 157.12 g/mol. Its IUPAC name is 3,4-difluorobenzamide.

Molecular Properties

Compound Name3,4-difluorobenzamide
PubChem CID522832
Molecular FormulaC7H5F2NO
Molecular Weight157.12 g/mol
Exact Mass157.03
IUPAC Name3,4-difluorobenzamide
SMILESNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
InChIKeyCMWOHNIHUBDEAG-UHFFFAOYSA-N
XLogP1.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluorobenzamide?
The IUPAC name of 3,4-difluorobenzamide (CID 522832) is 3,4-difluorobenzamide.
What is the SMILES notation for 3,4-difluorobenzamide?
The canonical SMILES for 3,4-difluorobenzamide is NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluorobenzamide?
The InChIKey is CMWOHNIHUBDEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11).
What are the key properties of 3,4-difluorobenzamide?
3,4-difluorobenzamide has a molecular weight of 157.12 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluorobenzamide is sourced from PubChem (CID 522832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).