2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide

C18H18FNO4 — CID 6457252

IUPAC2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C18H18FNO4/c1-3-23-17-9-13(10-21)5-7-16(17)24-11-18(22)20-15-8-12(2)4-6-14(15)19/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyHSNRVOXUEJDYCH-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.36
Rot. Bonds7

About 2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide

2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide (PubChem CID 6457252) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
PubChem CID6457252
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
SMILESCCOc1cc(C=O)ccc1OCC(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C18H18FNO4/c1-3-23-17-9-13(10-21)5-7-16(17)24-11-18(22)20-15-8-12(2)4-6-14(15)19/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyHSNRVOXUEJDYCH-UHFFFAOYSA-N
XLogP3.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887
2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
N-(2-fluoro-5-methylphenyl)-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
CID 97426327
N-(2,3-dimethylphenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 978026
2-(2-ethoxy-4-formylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7820624
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-(2-ethoxy-4-formylphenoxy)-N-(3-fluorophenyl)acetamide
CID 8009500
N-[[3-ethoxy-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 5137778
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
2-(2-ethoxyphenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8893933
2-(2-ethoxy-4-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8009527
2-(2-chloro-6-ethoxy-4-formylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 28913481

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide?
The IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide (CID 6457252) is 2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide?
The canonical SMILES for 2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide is CCOc1cc(C=O)ccc1OCC(=O)Nc1cc(C)ccc1F.
What is the InChIKey of 2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide?
The InChIKey is HSNRVOXUEJDYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-3-23-17-9-13(10-21)5-7-16(17)24-11-18(22)20-15-8-12(2)4-6-14(15)19/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide?
2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide has a molecular weight of 331.34 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-formylphenoxy)-N-(2-fluoro-5-methylphenyl)acetamide is sourced from PubChem (CID 6457252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).