5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide

C13H18FNO2 — CID 79252704

IUPAC5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C13H18FNO2/c1-8(2)12(7-16)15-13(17)11-6-10(14)5-4-9(11)3/h4-6,8,12,16H,7H2,1-3H3,(H,15,17)
InChIKeyBAHVWVFWMGAEFW-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.88
Rot. Bonds4

About 5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide

5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide (PubChem CID 79252704) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide
PubChem CID79252704
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C13H18FNO2/c1-8(2)12(7-16)15-13(17)11-6-10(14)5-4-9(11)3/h4-6,8,12,16H,7H2,1-3H3,(H,15,17)
InChIKeyBAHVWVFWMGAEFW-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide 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

N-(1-chloro-3-methylbutan-2-yl)-5-fluoro-2-methylbenzamide
CID 114305601
2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid
CID 63047722
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249540
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 91660036
5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide
CID 129358679
(4S)-4-[(5-fluoro-2-methylbenzoyl)amino]pentanoic acid
CID 95359084
2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 63048236
5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103852374
5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 107861282
5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 29131110
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 79246429
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79247363

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide?
The IUPAC name of 5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide (CID 79252704) is 5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide?
The canonical SMILES for 5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NC(CO)C(C)C.
What is the InChIKey of 5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide?
The InChIKey is BAHVWVFWMGAEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-8(2)12(7-16)15-13(17)11-6-10(14)5-4-9(11)3/h4-6,8,12,16H,7H2,1-3H3,(H,15,17).
What are the key properties of 5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide?
5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide has a molecular weight of 239.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 79252704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).