3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

C13H17F2NO2 — CID 113254979

IUPAC3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-8(2)12(5-6-17)16-13(18)9-3-4-10(14)11(15)7-9/h3-4,7-8,12,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyOIFCNLLEXLPIIV-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.10
Rot. Bonds5

About 3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (PubChem CID 113254979) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
PubChem CID113254979
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO2/c1-8(2)12(5-6-17)16-13(18)9-3-4-10(14)11(15)7-9/h3-4,7-8,12,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyOIFCNLLEXLPIIV-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide 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

2-[(3,4-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242712
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide
CID 96540104
N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide
CID 106356719
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634
3-(3,4-difluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782223
(2S)-2-[(3,4-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 42255657
N-(1-chloropropan-2-yl)-3,4-difluorobenzamide
CID 114299407
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide
CID 103782545
2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103751041
3,4-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996859

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (CID 113254979) is 3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is CC(C)C(CCO)NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The InChIKey is OIFCNLLEXLPIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-8(2)12(5-6-17)16-13(18)9-3-4-10(14)11(15)7-9/h3-4,7-8,12,17H,5-6H2,1-2H3,(H,16,18).
What are the key properties of 3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide has a molecular weight of 257.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is sourced from PubChem (CID 113254979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).