2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide

Name: 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₈FNO₂ — CID 107171511

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide

SMILESCc1ccc(OCC(=O)N(C)C(C)C)cc1F

InChIInChI=1S/C13H18FNO2/c1-9(2)15(4)13(16)8-17-11-6-5-10(3)12(14)7-11/h5-7,9H,8H2,1-4H3

InChIKeyTWOFLFVBCZHCQJ-UHFFFAOYSA-N

MW239.29 g/mol

LogP2.38

Rot. Bonds4

About 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide

2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide (PubChem CID 107171511) has the molecular formula C₁₃H₁₈FNO₂ and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name	2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
PubChem CID	107171511
Molecular Formula	C₁₃H₁₈FNO₂
Molecular Weight	239.29 g/mol
Exact Mass	239.13
IUPAC Name	2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
SMILES	Cc1ccc(OCC(=O)N(C)C(C)C)cc1F
InChI	InChI=1S/C13H18FNO2/c1-9(2)15(4)13(16)8-17-11-6-5-10(3)12(14)7-11/h5-7,9H,8H2,1-4H3
InChIKey	TWOFLFVBCZHCQJ-UHFFFAOYSA-N
XLogP	2.38
TPSA	29.54 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.29
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide?

The IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide (CID 107171511) is 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide.

What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide?

The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide is Cc1ccc(OCC(=O)N(C)C(C)C)cc1F.

What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide?

The InChIKey is TWOFLFVBCZHCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(2)15(4)13(16)8-17-11-6-5-10(3)12(14)7-11/h5-7,9H,8H2,1-4H3.

What are the key properties of 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide?

2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 239.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 107171511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 107171511 — identifiers, structure, computed properties (public domain)

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