[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate

C21H18FNO3 — CID 2512971

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate
SMILESCCN(C(=O)COC(=O)c1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C21H18FNO3/c1-2-23(19-13-7-9-15-8-3-4-10-16(15)19)20(24)14-26-21(25)17-11-5-6-12-18(17)22/h3-13H,2,14H2,1H3
InChIKeyVGUGKHGKSTWCGR-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.19
Rot. Bonds5

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate (PubChem CID 2512971) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate
PubChem CID2512971
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate
SMILESCCN(C(=O)COC(=O)c1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C21H18FNO3/c1-2-23(19-13-7-9-15-8-3-4-10-16(15)19)20(24)14-26-21(25)17-11-5-6-12-18(17)22/h3-13H,2,14H2,1H3
InChIKeyVGUGKHGKSTWCGR-UHFFFAOYSA-N
XLogP4.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2405012
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 4615912
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519656
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2383760
2-(2-ethoxyphenoxy)-N-ethyl-N-naphthalen-1-ylacetamide
CID 112779417
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 4832074
N-ethyl-2-[(2-fluorophenyl)methylamino]-N-naphthalen-1-ylacetamide
CID 2110538
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-fluorobenzoate
CID 7863913
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(propylsulfonylamino)benzoate
CID 55552742
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 29142245
[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18127628
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 27561308

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate (CID 2512971) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate is CCN(C(=O)COC(=O)c1ccccc1F)c1cccc2ccccc12.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is VGUGKHGKSTWCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c1-2-23(19-13-7-9-15-8-3-4-10-16(15)19)20(24)14-26-21(25)17-11-5-6-12-18(17)22/h3-13H,2,14H2,1H3.
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate has a molecular weight of 351.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate is sourced from PubChem (CID 2512971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).