4-(difluoromethyl)-2,3-difluorobenzamide

C8H5F4NO — CID 119005001

IUPAC4-(difluoromethyl)-2,3-difluorobenzamide
SMILESNC(=O)c1ccc(C(F)F)c(F)c1F
InChIInChI=1S/C8H5F4NO/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14/h1-2,7H,(H2,13,14)
InChIKeyAUAXRWFYBOSRBK-UHFFFAOYSA-N
MW207.13 g/mol
LogP2.00
Rot. Bonds2

About 4-(difluoromethyl)-2,3-difluorobenzamide

4-(difluoromethyl)-2,3-difluorobenzamide (PubChem CID 119005001) has the molecular formula C8H5F4NO and a molecular weight of 207.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,3-difluorobenzamide.

Molecular Properties

Compound Name4-(difluoromethyl)-2,3-difluorobenzamide
PubChem CID119005001
Molecular FormulaC8H5F4NO
Molecular Weight207.13 g/mol
Exact Mass207.03
IUPAC Name4-(difluoromethyl)-2,3-difluorobenzamide
SMILESNC(=O)c1ccc(C(F)F)c(F)c1F
InChIInChI=1S/C8H5F4NO/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14/h1-2,7H,(H2,13,14)
InChIKeyAUAXRWFYBOSRBK-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.13
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(difluoromethyl)-1H-pyrrole-3-carboxamide
CID 145390073
1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone
CID 131332582
2,3-bis(2,3,4,5,6-pentafluorophenyl)benzene-1,4-dicarboxamide
CID 89422005
4-carbamoyl-3-fluoro-2-methylbenzoic acid
CID 165441853
3-acetamido-2,4-difluorobenzamide
CID 154632543
3-fluoro-2,4-dimethylbenzamide
CID 119006165
3-(difluoromethyl)-2-fluorobenzoyl chloride
CID 151173886
4-chloro-2-fluoro-3-methylbenzamide
CID 83385455
3-carbamoyl-2-fluorobenzoic acid
CID 91004020
1-[4-carbamoyl-3-fluoro-2-(hydroxymethyl)phenyl]propane-1-sulfonic acid
CID 87378119
6-amino-5-(difluoromethyl)pyridine-2-carboxamide
CID 119001621
4-[(2S)-3-amino-2-(dimethylamino)propyl]-2,3-difluorobenzamide
CID 165405448

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,3-difluorobenzamide?
The IUPAC name of 4-(difluoromethyl)-2,3-difluorobenzamide (CID 119005001) is 4-(difluoromethyl)-2,3-difluorobenzamide.
What is the SMILES notation for 4-(difluoromethyl)-2,3-difluorobenzamide?
The canonical SMILES for 4-(difluoromethyl)-2,3-difluorobenzamide is NC(=O)c1ccc(C(F)F)c(F)c1F.
What is the InChIKey of 4-(difluoromethyl)-2,3-difluorobenzamide?
The InChIKey is AUAXRWFYBOSRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14/h1-2,7H,(H2,13,14).
What are the key properties of 4-(difluoromethyl)-2,3-difluorobenzamide?
4-(difluoromethyl)-2,3-difluorobenzamide has a molecular weight of 207.13 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,3-difluorobenzamide is sourced from PubChem (CID 119005001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).