N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide

C16H14FNO3 — CID 115955575

IUPACN-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide
SMILESCc1cccc(C=O)c1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C16H14FNO3/c1-11-5-4-6-12(9-19)16(11)21-10-15(20)18-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyGSVTVMOJVXOHGP-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.96
Rot. Bonds5

About N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide

N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide (PubChem CID 115955575) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide
PubChem CID115955575
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC NameN-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide
SMILESCc1cccc(C=O)c1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C16H14FNO3/c1-11-5-4-6-12(9-19)16(11)21-10-15(20)18-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyGSVTVMOJVXOHGP-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-(2-fluoro-6-formylphenoxy)-N-(2-fluorophenyl)acetamide
CID 115955813
2-(2-formyl-6-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 115955536
2-(2-chloro-6-formylphenoxy)-N-(2-fluorophenyl)acetamide
CID 115955695
2-(2-formyl-6-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 97179244
2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662
N-(2,5-difluorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 2711364
N-(2-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2558525
2-(2-formyl-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 112611076
N-(2-fluorophenyl)-2-(3-methylphenoxy)acetamide
CID 723312
N-(2-fluorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide
CID 78929098
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
CID 5046071
N-(2-aminophenyl)-2-(2,6-difluorophenoxy)acetamide
CID 81268833

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide (CID 115955575) is N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide is Cc1cccc(C=O)c1OCC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide?
The InChIKey is GSVTVMOJVXOHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-11-5-4-6-12(9-19)16(11)21-10-15(20)18-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide?
N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)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 N-(2-fluorophenyl)-2-(2-formyl-6-methylphenoxy)acetamide is sourced from PubChem (CID 115955575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).