[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate

C24H20FNO4 — CID 7612366

IUPAC[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCCN(C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H20FNO4/c1-2-26(19-14-12-18(25)13-15-19)22(27)16-30-24(29)21-11-7-6-10-20(21)23(28)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
InChIKeyMGCISKSBZHOQKP-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.27
Rot. Bonds7

About [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate

[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 7612366) has the molecular formula C24H20FNO4 and a molecular weight of 405.43 g/mol. Its IUPAC name is [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate
PubChem CID7612366
Molecular FormulaC24H20FNO4
Molecular Weight405.43 g/mol
Exact Mass405.14
IUPAC Name[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCCN(C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H20FNO4/c1-2-26(19-14-12-18(25)13-15-19)22(27)16-30-24(29)21-11-7-6-10-20(21)23(28)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
InChIKeyMGCISKSBZHOQKP-UHFFFAOYSA-N
XLogP4.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
CID 46790237
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8506195
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 4-(trifluoromethyl)quinoline-3-carboxylate
CID 24657854
2-(2-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61026892
[2-(N-methylanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2715062
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7489475
[2-(N-ethylanilino)-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 2623656
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 8506177
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 7874588
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672953
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 24526825
[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621635

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate (CID 7612366) is [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate is CCN(C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is MGCISKSBZHOQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO4/c1-2-26(19-14-12-18(25)13-15-19)22(27)16-30-24(29)21-11-7-6-10-20(21)23(28)17-8-4-3-5-9-17/h3-15H,2,16H2,1H3.
What are the key properties of [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate?
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate has a molecular weight of 405.43 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 7612366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).