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

C16H16FNO3 — CID 107698413

IUPAC2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccc(F)cc1CO
InChIInChI=1S/C16H16FNO3/c1-11-4-2-3-5-14(11)18-16(20)10-21-15-7-6-13(17)8-12(15)9-19/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyXUGQTSXHFYQQPB-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.64
Rot. Bonds5

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

2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 107698413) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
PubChem CID107698413
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccc(F)cc1CO
InChIInChI=1S/C16H16FNO3/c1-11-4-2-3-5-14(11)18-16(20)10-21-15-7-6-13(17)8-12(15)9-19/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyXUGQTSXHFYQQPB-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide
CID 107694923
2-(2-amino-4-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 62368683
2-(2-acetamidophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 2472167
2-(4-amino-2,5-difluorophenoxy)-N-(2-methylphenyl)acetamide
CID 63598465
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 114415878
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylphenyl)acetamide
CID 79157217
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-prop-2-ynylacetamide
CID 107698541
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567
2-[2-(5-fluoro-2-methylanilino)-2-oxoethoxy]benzamide
CID 18100358
2-(2,4-difluorophenoxy)-N-(2-hydroxyphenyl)acetamide
CID 31984086
N-(2-benzylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31895274

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide (CID 107698413) is 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)COc1ccc(F)cc1CO.
What is the InChIKey of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide?
The InChIKey is XUGQTSXHFYQQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-11-4-2-3-5-14(11)18-16(20)10-21-15-7-6-13(17)8-12(15)9-19/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide?
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 289.31 g/mol, XLogP of 2.64, 5 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 107698413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).