2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide

C20H24FNO3 — CID 110002765

IUPAC2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc(-c2ccc(C)cc2)cc1F
InChIInChI=1S/C20H24FNO3/c1-14-4-6-15(7-5-14)16-8-9-17(18(21)12-16)19(24)22-20(2,10-11-23)13-25-3/h4-9,12,23H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyDHDCHVSPCCTNKK-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.32
Rot. Bonds7

About 2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide

2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide (PubChem CID 110002765) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide
PubChem CID110002765
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc(-c2ccc(C)cc2)cc1F
InChIInChI=1S/C20H24FNO3/c1-14-4-6-15(7-5-14)16-8-9-17(18(21)12-16)19(24)22-20(2,10-11-23)13-25-3/h4-9,12,23H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyDHDCHVSPCCTNKK-UHFFFAOYSA-N
XLogP3.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110003172
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride
CID 119521671
2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002736
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 110002811
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002940
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
CID 110003125
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide
CID 110003023
2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-4-nitrobenzamide
CID 103945514
5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 110002777
4-(dimethylamino)-2-fluoro-N-[(3R)-1-hydroxy-3-methylpentan-3-yl]benzamide
CID 97340435
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 110002826

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide?
The IUPAC name of 2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide (CID 110002765) is 2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide is COCC(C)(CCO)NC(=O)c1ccc(-c2ccc(C)cc2)cc1F.
What is the InChIKey of 2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide?
The InChIKey is DHDCHVSPCCTNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-14-4-6-15(7-5-14)16-8-9-17(18(21)12-16)19(24)22-20(2,10-11-23)13-25-3/h4-9,12,23H,10-11,13H2,1-3H3,(H,22,24).
What are the key properties of 2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide?
2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide has a molecular weight of 345.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide is sourced from PubChem (CID 110002765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).