2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide

C13H18FNO4 — CID 103850864

IUPAC2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
SMILESCOCC(CCO)NC(=O)c1c(F)cccc1OC
InChIInChI=1S/C13H18FNO4/c1-18-8-9(6-7-16)15-13(17)12-10(14)4-3-5-11(12)19-2/h3-5,9,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyFHOQHVWUQLSEJG-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.96
Rot. Bonds7

About 2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide

2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide (PubChem CID 103850864) has the molecular formula C13H18FNO4 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
PubChem CID103850864
Molecular FormulaC13H18FNO4
Molecular Weight271.29 g/mol
Exact Mass271.12
IUPAC Name2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
SMILESCOCC(CCO)NC(=O)c1c(F)cccc1OC
InChIInChI=1S/C13H18FNO4/c1-18-8-9(6-7-16)15-13(17)12-10(14)4-3-5-11(12)19-2/h3-5,9,16H,6-8H2,1-2H3,(H,15,17)
InChIKeyFHOQHVWUQLSEJG-UHFFFAOYSA-N
XLogP0.96
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
2-fluoro-6-[(4-hydroxy-1-methoxybutan-2-yl)amino]benzoic acid
CID 114152202
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 103850889
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 106183536
N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114154757
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 106154208
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide
CID 106183426
N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide
CID 106357024
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodobenzamide
CID 103799326

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide?
The IUPAC name of 2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide (CID 103850864) is 2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide.
What is the SMILES notation for 2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide?
The canonical SMILES for 2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide is COCC(CCO)NC(=O)c1c(F)cccc1OC.
What is the InChIKey of 2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide?
The InChIKey is FHOQHVWUQLSEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4/c1-18-8-9(6-7-16)15-13(17)12-10(14)4-3-5-11(12)19-2/h3-5,9,16H,6-8H2,1-2H3,(H,15,17).
What are the key properties of 2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide?
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide has a molecular weight of 271.29 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide is sourced from PubChem (CID 103850864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).