2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide

C12H16FNO3 — CID 60626010

IUPAC2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c1-16-7-3-6-14-12(15)9-17-11-5-2-4-10(13)8-11/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,15)
InChIKeySWLBJCZNAPTGBO-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.36
Rot. Bonds7

About 2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide

2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide (PubChem CID 60626010) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
PubChem CID60626010
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1cccc(F)c1
InChIInChI=1S/C12H16FNO3/c1-16-7-3-6-14-12(15)9-17-11-5-2-4-10(13)8-11/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,15)
InChIKeySWLBJCZNAPTGBO-UHFFFAOYSA-N
XLogP1.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 62032120
2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486589
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-(3-cyclopentylpropyl)-2-(3-fluorophenoxy)acetamide
CID 55572986
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 9008020
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 107698563
2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62478241

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide (CID 60626010) is 2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide?
The InChIKey is SWLBJCZNAPTGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-16-7-3-6-14-12(15)9-17-11-5-2-4-10(13)8-11/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,15).
What are the key properties of 2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide?
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide has a molecular weight of 241.26 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 60626010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).