2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide

C12H16FNO3 — CID 103941390

IUPAC2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C12H16FNO3/c1-8(4-5-15)7-14-12(17)10-3-2-9(16)6-11(10)13/h2-3,6,8,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyVLHTZIJOENFTFR-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.28
Rot. Bonds5

About 2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide

2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide (PubChem CID 103941390) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
PubChem CID103941390
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C12H16FNO3/c1-8(4-5-15)7-14-12(17)10-3-2-9(16)6-11(10)13/h2-3,6,8,15-16H,4-5,7H2,1H3,(H,14,17)
InChIKeyVLHTZIJOENFTFR-UHFFFAOYSA-N
XLogP1.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 103867092
N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide
CID 107677629
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052
5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66092192
N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677727
N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
CID 107726381
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide
CID 107677312
2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 104929813
2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353165
2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66108784
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
CID 107725987

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide (CID 103941390) is 2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide is CC(CCO)CNC(=O)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide?
The InChIKey is VLHTZIJOENFTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-8(4-5-15)7-14-12(17)10-3-2-9(16)6-11(10)13/h2-3,6,8,15-16H,4-5,7H2,1H3,(H,14,17).
What are the key properties of 2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide?
2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide has a molecular weight of 241.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide is sourced from PubChem (CID 103941390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).