2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide

C17H18FNO4 — CID 900816

IUPAC2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide
SMILESCCOc1cc(CO)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FNO4/c1-2-22-16-9-12(10-20)3-8-15(16)23-11-17(21)19-14-6-4-13(18)5-7-14/h3-9,20H,2,10-11H2,1H3,(H,19,21)
InChIKeyLTKJBOMDUCWXAQ-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.73
Rot. Bonds7

About 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide

2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 900816) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID900816
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide
SMILESCCOc1cc(CO)ccc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FNO4/c1-2-22-16-9-12(10-20)3-8-15(16)23-11-17(21)19-14-6-4-13(18)5-7-14/h3-9,20H,2,10-11H2,1H3,(H,19,21)
InChIKeyLTKJBOMDUCWXAQ-UHFFFAOYSA-N
XLogP2.73
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-hexyl-2-hydroxyphenoxy)phenyl]acetamide
CID 44450092
2-[4-(4-Hexyl-2-hydroxyphenoxy)anilino]-2-oxoacetic acid
CID 44450056
2-[2-(4-Hexyl-2-hydroxyphenoxy)anilino]-2-oxoacetic acid
CID 44450057
2-(3,4-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 723386
[2-(3-fluoroanilino)-2-oxoethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2394109
[1-(4-ethylanilino)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 6144705
2-[4-({[1-(hydroxymethyl)propyl]amino}methyl)-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4747376
2-[4-[2-(3,4-Dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid
CID 122189737
Ethyl 2-cyano-3-(3-methoxy-4-(2-oxo-2-(phenylamino)ethoxy)phenyl)acrylate
CID 1105537
N-(4-bromophenyl)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
CID 1302381
2-[(2-ethoxyphenyl)amino]-2-oxoethyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 1648183
N-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 2110466

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide (CID 900816) is 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide is CCOc1cc(CO)ccc1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is LTKJBOMDUCWXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-2-22-16-9-12(10-20)3-8-15(16)23-11-17(21)19-14-6-4-13(18)5-7-14/h3-9,20H,2,10-11H2,1H3,(H,19,21).
What are the key properties of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide?
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 319.33 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 900816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).