3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide

C12H16FNO3 — CID 90500919

IUPAC3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
SMILESCOCC(C)(O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c1-12(16,8-17-2)7-14-11(15)9-4-3-5-10(13)6-9/h3-6,16H,7-8H2,1-2H3,(H,14,15)
InChIKeyZOBJPUWVFAPVND-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.95
Rot. Bonds5

About 3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide

3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide (PubChem CID 90500919) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
PubChem CID90500919
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
SMILESCOCC(C)(O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c1-12(16,8-17-2)7-14-11(15)9-4-3-5-10(13)6-9/h3-6,16H,7-8H2,1-2H3,(H,14,15)
InChIKeyZOBJPUWVFAPVND-UHFFFAOYSA-N
XLogP0.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500989
N-[4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-enyl]-3-fluorobenzamide
CID 3612255
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide
CID 95368900
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
4-cyano-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500924
2-(3-fluorophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712162
1-(3-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide
CID 56724259
3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
CID 79380984

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide (CID 90500919) is 3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide is COCC(C)(O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
The InChIKey is ZOBJPUWVFAPVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-12(16,8-17-2)7-14-11(15)9-4-3-5-10(13)6-9/h3-6,16H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide?
3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide has a molecular weight of 241.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 90500919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).