4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide

C14H20FNO3 — CID 103830009

IUPAC4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C14H20FNO3/c1-14(2,3)7-10(17)8-16-13(19)11-5-4-9(15)6-12(11)18/h4-6,10,17-18H,7-8H2,1-3H3,(H,16,19)
InChIKeyCWWFYSNXBOXFDN-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.06
Rot. Bonds4

About 4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide

4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide (PubChem CID 103830009) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
PubChem CID103830009
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C14H20FNO3/c1-14(2,3)7-10(17)8-16-13(19)11-5-4-9(15)6-12(11)18/h4-6,10,17-18H,7-8H2,1-3H3,(H,16,19)
InChIKeyCWWFYSNXBOXFDN-UHFFFAOYSA-N
XLogP2.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)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-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 104929813
N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 113304540
2-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid
CID 107013642
4-fluoro-2-hydroxy-N-(2-methoxypropyl)benzamide
CID 102737733
4-fluoro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 103829637
N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 113304594
4-fluoro-2-hydroxy-N-(2-phenylpropyl)benzamide
CID 103829491
4-fluoro-2-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 103830101
3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide
CID 103957156
2-[[(2-bromo-4-fluorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473735
N-(4-bromo-2-ethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 107016911
N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide
CID 107158602

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide (CID 103830009) is 4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide is CC(C)(C)CC(O)CNC(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
The InChIKey is CWWFYSNXBOXFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,3)7-10(17)8-16-13(19)11-5-4-9(15)6-12(11)18/h4-6,10,17-18H,7-8H2,1-3H3,(H,16,19).
What are the key properties of 4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide has a molecular weight of 269.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide is sourced from PubChem (CID 103830009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).