3-fluoro-4-methylbenzamide

C8H8FNO — CID 2774577

IUPAC3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C8H8FNO/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H2,10,11)
InChIKeyOLZRKCCKPQZSPH-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.23
Rot. Bonds1

About 3-fluoro-4-methylbenzamide

3-fluoro-4-methylbenzamide (PubChem CID 2774577) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 3-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-methylbenzamide
PubChem CID2774577
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C8H8FNO/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H2,10,11)
InChIKeyOLZRKCCKPQZSPH-UHFFFAOYSA-N
XLogP1.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzamide
CID 2331
N-Methylbenzamide
CID 11954
Phthalamide
CID 6956
Benzohydroxamic acid
CID 10313
2,6-Difluorobenzamide
CID 87439
2-Trifluoromethylbenzamide
CID 67759
4-Fluorobenzamide
CID 71572
4-Methylbenzamide
CID 69274
2-Methylbenzamide
CID 10704
2-Fluorobenzamide
CID 67964
4-Iodobenzamide
CID 77561
N,N-Dimethylbenzamide
CID 11916

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylbenzamide?
The IUPAC name of 3-fluoro-4-methylbenzamide (CID 2774577) is 3-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-4-methylbenzamide?
The canonical SMILES for 3-fluoro-4-methylbenzamide is Cc1ccc(C(N)=O)cc1F.
What is the InChIKey of 3-fluoro-4-methylbenzamide?
The InChIKey is OLZRKCCKPQZSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H2,10,11).
What are the key properties of 3-fluoro-4-methylbenzamide?
3-fluoro-4-methylbenzamide has a molecular weight of 153.16 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylbenzamide is sourced from PubChem (CID 2774577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).