[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate

C22H16FNO4 — CID 4989481

IUPAC[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H16FNO4/c23-17-12-10-16(11-13-17)22(27)28-14-20(25)24-19-9-5-4-8-18(19)21(26)15-6-2-1-3-7-15/h1-13H,14H2,(H,24,25)
InChIKeyZODPONZCXFHBDO-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.85
Rot. Bonds6

About [2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate

[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 4989481) has the molecular formula C22H16FNO4 and a molecular weight of 377.37 g/mol. Its IUPAC name is [2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
PubChem CID4989481
Molecular FormulaC22H16FNO4
Molecular Weight377.37 g/mol
Exact Mass377.11
IUPAC Name[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H16FNO4/c23-17-12-10-16(11-13-17)22(27)28-14-20(25)24-19-9-5-4-8-18(19)21(26)15-6-2-1-3-7-15/h1-13H,14H2,(H,24,25)
InChIKeyZODPONZCXFHBDO-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-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606526
[2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7210429
[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
CID 5155011
[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate
CID 4664729
[2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 7766787
[2-(2-benzoylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 42969978
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-fluorobenzoate
CID 7478277
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 725032
[2-(2-nitroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 7204022

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate (CID 4989481) is [2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is ZODPONZCXFHBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO4/c23-17-12-10-16(11-13-17)22(27)28-14-20(25)24-19-9-5-4-8-18(19)21(26)15-6-2-1-3-7-15/h1-13H,14H2,(H,24,25).
What are the key properties of [2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate?
[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate 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-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 4989481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).