N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide

C20H16FNO3 — CID 7763182

IUPACN-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
SMILESO=Cc1c(OCC(=O)NCc2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C20H16FNO3/c21-16-8-5-14(6-9-16)11-22-20(24)13-25-19-10-7-15-3-1-2-4-17(15)18(19)12-23/h1-10,12H,11,13H2,(H,22,24)
InChIKeyOSAHDNUPUOWTLS-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.49
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide

N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide (PubChem CID 7763182) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
PubChem CID7763182
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
SMILESO=Cc1c(OCC(=O)NCc2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C20H16FNO3/c21-16-8-5-14(6-9-16)11-22-20(24)13-25-19-10-7-15-3-1-2-4-17(15)18(19)12-23/h1-10,12H,11,13H2,(H,22,24)
InChIKeyOSAHDNUPUOWTLS-UHFFFAOYSA-N
XLogP3.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.49
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

N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763455
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763235
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 2631895
2-(1-formylnaphthalen-2-yl)oxy-N-naphthalen-1-ylacetamide
CID 7763473
N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide
CID 60792895
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylphenyl)acetamide
CID 7763468
2-(1-formylnaphthalen-2-yl)oxy-N-(2-methylbutan-2-yl)acetamide
CID 9010002
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
CID 51140286
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide (CID 7763182) is N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide is O=Cc1c(OCC(=O)NCc2ccc(F)cc2)ccc2ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
The InChIKey is OSAHDNUPUOWTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c21-16-8-5-14(6-9-16)11-22-20(24)13-25-19-10-7-15-3-1-2-4-17(15)18(19)12-23/h1-10,12H,11,13H2,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide?
N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide has a molecular weight of 337.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 7763182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).