2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide

C13H18FNO4 — CID 107698563

IUPAC2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccc(F)cc1CO
InChIInChI=1S/C13H18FNO4/c1-18-6-2-5-15-13(17)9-19-12-4-3-11(14)7-10(12)8-16/h3-4,7,16H,2,5-6,8-9H2,1H3,(H,15,17)
InChIKeyFACVAZPPDKNWMM-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.85
Rot. Bonds8

About 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide

2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide (PubChem CID 107698563) has the molecular formula C13H18FNO4 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
PubChem CID107698563
Molecular FormulaC13H18FNO4
Molecular Weight271.29 g/mol
Exact Mass271.12
IUPAC Name2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1ccc(F)cc1CO
InChIInChI=1S/C13H18FNO4/c1-18-6-2-5-15-13(17)9-19-12-4-3-11(14)7-10(12)8-16/h3-4,7,16H,2,5-6,8-9H2,1H3,(H,15,17)
InChIKeyFACVAZPPDKNWMM-UHFFFAOYSA-N
XLogP0.85
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 107698300
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 63366214
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-prop-2-ynylacetamide
CID 107698541
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485540
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107698258
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide
CID 107700905
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60626030
2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107318520
2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide
CID 115610415

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide (CID 107698563) is 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1ccc(F)cc1CO.
What is the InChIKey of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is FACVAZPPDKNWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4/c1-18-6-2-5-15-13(17)9-19-12-4-3-11(14)7-10(12)8-16/h3-4,7,16H,2,5-6,8-9H2,1H3,(H,15,17).
What are the key properties of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 271.29 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 107698563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).