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

C14H20FNO3 — CID 107698300

IUPAC2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(F)cc1CO
InChIInChI=1S/C14H20FNO3/c1-10(2)5-6-16-14(18)9-19-13-4-3-12(15)7-11(13)8-17/h3-4,7,10,17H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyDOOYLOCBPHTTLT-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.86
Rot. Bonds7

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

2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide (PubChem CID 107698300) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
PubChem CID107698300
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc(F)cc1CO
InChIInChI=1S/C14H20FNO3/c1-10(2)5-6-16-14(18)9-19-13-4-3-12(15)7-11(13)8-17/h3-4,7,10,17H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyDOOYLOCBPHTTLT-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 115297841
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 107698563
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-prop-2-ynylacetamide
CID 107698541
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107698258
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide
CID 107700905
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 61487161
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107698259
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 104666002
3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 107698389
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 107698413
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 61486644

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide (CID 107698300) is 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1ccc(F)cc1CO.
What is the InChIKey of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide?
The InChIKey is DOOYLOCBPHTTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-10(2)5-6-16-14(18)9-19-13-4-3-12(15)7-11(13)8-17/h3-4,7,10,17H,5-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide?
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide has a molecular weight of 269.32 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 107698300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).