4-fluoro-2,5-dimethylbenzamide

C9H10FNO — CID 119025196

IUPAC4-fluoro-2,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)c(C)cc1F
InChIInChI=1S/C9H10FNO/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4H,1-2H3,(H2,11,12)
InChIKeyFAJYJLYIPWUNGL-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.54
Rot. Bonds1

About 4-fluoro-2,5-dimethylbenzamide

4-fluoro-2,5-dimethylbenzamide (PubChem CID 119025196) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 4-fluoro-2,5-dimethylbenzamide.

Molecular Properties

Compound Name4-fluoro-2,5-dimethylbenzamide
PubChem CID119025196
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name4-fluoro-2,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)c(C)cc1F
InChIInChI=1S/C9H10FNO/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4H,1-2H3,(H2,11,12)
InChIKeyFAJYJLYIPWUNGL-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-fluoro-5-methylbenzamide
CID 131582369
4-bromo-5-fluoro-2-methylbenzamide
CID 121366312
4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
5-fluoro-2-methyl-4-propan-2-ylbenzamide
CID 58333607
4-fluoro-N-methoxy-2,5-dimethylbenzamide
CID 23394049
4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide
CID 68606030
(5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102707053
5-fluoro-4-methyl-2-propan-2-yloxybenzamide
CID 59113922
2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide
CID 142305806
5-chloro-2,4-dimethylbenzamide
CID 82551019
(4-fluoro-2,5-dimethylphenyl)urea
CID 130686270
2-fluoro-5-methyl-4-nitrobenzamide
CID 130894297

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,5-dimethylbenzamide?
The IUPAC name of 4-fluoro-2,5-dimethylbenzamide (CID 119025196) is 4-fluoro-2,5-dimethylbenzamide.
What is the SMILES notation for 4-fluoro-2,5-dimethylbenzamide?
The canonical SMILES for 4-fluoro-2,5-dimethylbenzamide is Cc1cc(C(N)=O)c(C)cc1F.
What is the InChIKey of 4-fluoro-2,5-dimethylbenzamide?
The InChIKey is FAJYJLYIPWUNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 4-fluoro-2,5-dimethylbenzamide?
4-fluoro-2,5-dimethylbenzamide has a molecular weight of 167.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,5-dimethylbenzamide is sourced from PubChem (CID 119025196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).