3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide

C13H18FNO3 — CID 113264488

IUPAC3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
SMILESCOCC(CCO)NC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C13H18FNO3/c1-9-3-4-10(7-12(9)14)13(17)15-11(5-6-16)8-18-2/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyDTZJGWXZHMLCKK-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.26
Rot. Bonds6

About 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide

3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide (PubChem CID 113264488) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
PubChem CID113264488
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
SMILESCOCC(CCO)NC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C13H18FNO3/c1-9-3-4-10(7-12(9)14)13(17)15-11(5-6-16)8-18-2/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyDTZJGWXZHMLCKK-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
CID 114078926
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
N-(4-bromo-1-methoxybutan-2-yl)-3,4-difluorobenzamide
CID 114151343
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 103799620
4-bromo-N-(4-chloro-1-methoxybutan-2-yl)-3-fluorobenzamide
CID 106155489
3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
CID 103850888
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 103799241

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide (CID 113264488) is 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide is COCC(CCO)NC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide?
The InChIKey is DTZJGWXZHMLCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9-3-4-10(7-12(9)14)13(17)15-11(5-6-16)8-18-2/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide?
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide has a molecular weight of 255.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 113264488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).