[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

C20H16FNO3 — CID 4801728

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C20H16FNO3/c21-16-10-8-14(9-11-16)12-20(24)25-13-19(23)22-18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13H2,(H,22,23)
InChIKeyKRMBPDXJIUKSGR-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.70
Rot. Bonds5

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 4801728) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID4801728
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)Nc1cccc2ccccc12
InChIInChI=1S/C20H16FNO3/c21-16-10-8-14(9-11-16)12-20(24)25-13-19(23)22-18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13H2,(H,22,23)
InChIKeyKRMBPDXJIUKSGR-UHFFFAOYSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828492
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(4-fluorophenyl)acetate
CID 7759345
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625283
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613242
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555012
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759288
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759274
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4854024
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4801774
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612861

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 4801728) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is KRMBPDXJIUKSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c21-16-10-8-14(9-11-16)12-20(24)25-13-19(23)22-18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13H2,(H,22,23).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 337.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 4801728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).