3-fluoro-4-methyl-N-oxobenzamide

C8H6FNO2 — CID 126760596

IUPAC3-fluoro-4-methyl-N-oxobenzamide
SMILESCc1ccc(C(=O)N=O)cc1F
InChIInChI=1S/C8H6FNO2/c1-5-2-3-6(4-7(5)9)8(11)10-12/h2-4H,1H3
InChIKeyHWSZBAZCFSXBDV-UHFFFAOYSA-N
MW167.14 g/mol
LogP2.04
Rot. Bonds1

About 3-fluoro-4-methyl-N-oxobenzamide

3-fluoro-4-methyl-N-oxobenzamide (PubChem CID 126760596) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-oxobenzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-oxobenzamide
PubChem CID126760596
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name3-fluoro-4-methyl-N-oxobenzamide
SMILESCc1ccc(C(=O)N=O)cc1F
InChIInChI=1S/C8H6FNO2/c1-5-2-3-6(4-7(5)9)8(11)10-12/h2-4H,1H3
InChIKeyHWSZBAZCFSXBDV-UHFFFAOYSA-N
XLogP2.04
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2,3-bis(3-fluoro-4-methylphenyl)but-2-enediamide
CID 71246699
4-amino-3-methyl-N-oxobenzamide
CID 89119624
2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
CID 2759044
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
3,3,3-trifluoro-1-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)propan-1-one
CID 107129942
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79672875
1-(3-fluoro-4-methylphenyl)ethenamine
CID 129060192
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 107129912
2-ethyl-1-(3-fluoro-4-methylphenyl)-2-hydroxybutan-1-one
CID 107128454
2-[dimethyl(oxo)-λ6-sulfanylidene]-1-(3-fluoro-4-methylphenyl)ethanone
CID 162412913

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-oxobenzamide?
The IUPAC name of 3-fluoro-4-methyl-N-oxobenzamide (CID 126760596) is 3-fluoro-4-methyl-N-oxobenzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-oxobenzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-oxobenzamide is Cc1ccc(C(=O)N=O)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-oxobenzamide?
The InChIKey is HWSZBAZCFSXBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c1-5-2-3-6(4-7(5)9)8(11)10-12/h2-4H,1H3.
What are the key properties of 3-fluoro-4-methyl-N-oxobenzamide?
3-fluoro-4-methyl-N-oxobenzamide has a molecular weight of 167.14 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-oxobenzamide is sourced from PubChem (CID 126760596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).