2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide

C16H14FNO3 — CID 103849996

IUPAC2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc(C=O)cc2F)c1
InChIInChI=1S/C16H14FNO3/c1-11-3-2-4-13(7-11)18-16(20)10-21-15-6-5-12(9-19)8-14(15)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyYVARYYJPHJEJGI-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide

2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide (PubChem CID 103849996) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide
PubChem CID103849996
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccc(C=O)cc2F)c1
InChIInChI=1S/C16H14FNO3/c1-11-3-2-4-13(7-11)18-16(20)10-21-15-6-5-12(9-19)8-14(15)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyYVARYYJPHJEJGI-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 975229
2-(2-ethoxy-4-formylphenoxy)-N-(3-fluorophenyl)acetamide
CID 8009500
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
2-(2-amino-4-chlorophenoxy)-N-(3-methylphenyl)acetamide
CID 24695483
5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707257
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide
CID 895523
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 113338147
5-bromo-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707260
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7500246

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide (CID 103849996) is 2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2ccc(C=O)cc2F)c1.
What is the InChIKey of 2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide?
The InChIKey is YVARYYJPHJEJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-11-3-2-4-13(7-11)18-16(20)10-21-15-6-5-12(9-19)8-14(15)17/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide?
2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide has a molecular weight of 287.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 103849996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).