5-fluoro-2-methyl-4-propan-2-ylbenzamide

C11H14FNO — CID 58333607

IUPAC5-fluoro-2-methyl-4-propan-2-ylbenzamide
SMILESCc1cc(C(C)C)c(F)cc1C(N)=O
InChIInChI=1S/C11H14FNO/c1-6(2)8-4-7(3)9(11(13)14)5-10(8)12/h4-6H,1-3H3,(H2,13,14)
InChIKeyQPSURKAJSHJCQQ-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.36
Rot. Bonds2

About 5-fluoro-2-methyl-4-propan-2-ylbenzamide

5-fluoro-2-methyl-4-propan-2-ylbenzamide (PubChem CID 58333607) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-propan-2-ylbenzamide
PubChem CID58333607
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name5-fluoro-2-methyl-4-propan-2-ylbenzamide
SMILESCc1cc(C(C)C)c(F)cc1C(N)=O
InChIInChI=1S/C11H14FNO/c1-6(2)8-4-7(3)9(11(13)14)5-10(8)12/h4-6H,1-3H3,(H2,13,14)
InChIKeyQPSURKAJSHJCQQ-UHFFFAOYSA-N
XLogP2.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-2-methyl-4-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2,5-dimethylbenzamide
CID 119025196
4-bromo-5-fluoro-2-methylbenzamide
CID 121366312
4-ethoxy-2-methyl-5-propan-2-ylbenzamide
CID 82266051
5-fluoro-4-methyl-2-propan-2-yloxybenzamide
CID 59113922
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 117297798
4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide
CID 68606030
3,4,5-trifluoro-2-methylbenzamide
CID 87559978
ethane;4-fluoro-2-methyl-5-propan-2-ylphenol
CID 145193990
5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methylbenzamide
CID 95624643
2,3-dimethyl-4-propan-2-ylbenzamide
CID 154461721
2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide
CID 142305806

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-propan-2-ylbenzamide?
The IUPAC name of 5-fluoro-2-methyl-4-propan-2-ylbenzamide (CID 58333607) is 5-fluoro-2-methyl-4-propan-2-ylbenzamide.
What is the SMILES notation for 5-fluoro-2-methyl-4-propan-2-ylbenzamide?
The canonical SMILES for 5-fluoro-2-methyl-4-propan-2-ylbenzamide is Cc1cc(C(C)C)c(F)cc1C(N)=O.
What is the InChIKey of 5-fluoro-2-methyl-4-propan-2-ylbenzamide?
The InChIKey is QPSURKAJSHJCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-6(2)8-4-7(3)9(11(13)14)5-10(8)12/h4-6H,1-3H3,(H2,13,14).
What are the key properties of 5-fluoro-2-methyl-4-propan-2-ylbenzamide?
5-fluoro-2-methyl-4-propan-2-ylbenzamide has a molecular weight of 195.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-propan-2-ylbenzamide is sourced from PubChem (CID 58333607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).