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

C22H16FNO4 — CID 2606526

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
SMILESO=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C22H16FNO4/c23-18-10-12-19(13-11-18)24-20(25)14-28-22(27)17-8-6-16(7-9-17)21(26)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,25)
InChIKeyQGYVBDDXAVASBM-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.85
Rot. Bonds6

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

[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate (PubChem CID 2606526) has the molecular formula C22H16FNO4 and a molecular weight of 377.37 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
PubChem CID2606526
Molecular FormulaC22H16FNO4
Molecular Weight377.37 g/mol
Exact Mass377.11
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
SMILESO=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C22H16FNO4/c23-18-10-12-19(13-11-18)24-20(25)14-28-22(27)17-8-6-16(7-9-17)21(26)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,25)
InChIKeyQGYVBDDXAVASBM-UHFFFAOYSA-N
XLogP3.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 7203949
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 4989481
[2-(4-fluoroanilino)-2-oxoethyl] 4-formylbenzoate
CID 2504589
[2-(4-fluoroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519427
3-O-[2-(4-fluoroanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860643
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-(4-fluoroanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7834059
[2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate
CID 8611982
(2-anilino-2-oxoethyl) 4-iodobenzoate
CID 2505448
[2-(4-fluoroanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588139

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate (CID 2606526) is [2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate is O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate?
The InChIKey is QGYVBDDXAVASBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO4/c23-18-10-12-19(13-11-18)24-20(25)14-28-22(27)17-8-6-16(7-9-17)21(26)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,25).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate?
[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate has a molecular weight of 377.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate is sourced from PubChem (CID 2606526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).