2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide

C12H14FNO3 — CID 104920523

IUPAC2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
SMILESCC(C)C(=O)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H14FNO3/c1-7(2)10(16)6-14-12(17)11-8(13)4-3-5-9(11)15/h3-5,7,15H,6H2,1-2H3,(H,14,17)
InChIKeyFPEIDWLYULRMQP-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.49
Rot. Bonds4

About 2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide

2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide (PubChem CID 104920523) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
PubChem CID104920523
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
SMILESCC(C)C(=O)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H14FNO3/c1-7(2)10(16)6-14-12(17)11-8(13)4-3-5-9(11)15/h3-5,7,15H,6H2,1-2H3,(H,14,17)
InChIKeyFPEIDWLYULRMQP-UHFFFAOYSA-N
XLogP1.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxybenzamide
CID 104917526
N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide
CID 104920518
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
CID 107012883
2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 104917625
N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide
CID 104917096
2-fluoro-6-hydroxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 104916754
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide (CID 104920523) is 2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide is CC(C)C(=O)CNC(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide?
The InChIKey is FPEIDWLYULRMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-7(2)10(16)6-14-12(17)11-8(13)4-3-5-9(11)15/h3-5,7,15H,6H2,1-2H3,(H,14,17).
What are the key properties of 2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide?
2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide has a molecular weight of 239.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide is sourced from PubChem (CID 104920523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).