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

C13H18FNO4 — CID 103850770

IUPAC4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
SMILESCOCC(CCO)NC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H18FNO4/c1-18-8-10(5-6-16)15-13(17)9-3-4-11(14)12(7-9)19-2/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyZHBKEIDQSZANMV-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.96
Rot. Bonds7

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

4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide (PubChem CID 103850770) has the molecular formula C13H18FNO4 and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
PubChem CID103850770
Molecular FormulaC13H18FNO4
Molecular Weight271.29 g/mol
Exact Mass271.12
IUPAC Name4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
SMILESCOCC(CCO)NC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H18FNO4/c1-18-8-10(5-6-16)15-13(17)9-3-4-11(14)12(7-9)19-2/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyZHBKEIDQSZANMV-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

N-(4-bromo-1-methoxybutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 106155995
3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
CID 103850888
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
CID 103850864
3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
CID 114078926
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
4-(4-chloro-2-nitrophenoxy)-N-[(2R)-4-hydroxy-1-methoxybutan-2-yl]-3-methoxybenzamide
CID 97062743
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
N-(1-bromobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 114307617

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide?
The IUPAC name of 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide (CID 103850770) is 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide is COCC(CCO)NC(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide?
The InChIKey is ZHBKEIDQSZANMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4/c1-18-8-10(5-6-16)15-13(17)9-3-4-11(14)12(7-9)19-2/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide?
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-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 4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 103850770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).