[2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate

C21H16FNO3 — CID 8611982

IUPAC[2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate
SMILESO=C(COC(=O)c1cccc(F)c1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16FNO3/c22-18-8-4-7-17(13-18)21(25)26-14-20(24)23-19-11-9-16(10-12-19)15-5-2-1-3-6-15/h1-13H,14H2,(H,23,24)
InChIKeyMRRRWABGPGKSLZ-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.29
Rot. Bonds5

About [2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate

[2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate (PubChem CID 8611982) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate
PubChem CID8611982
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Name[2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate
SMILESO=C(COC(=O)c1cccc(F)c1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16FNO3/c22-18-8-4-7-17(13-18)21(25)26-14-20(24)23-19-11-9-16(10-12-19)15-5-2-1-3-6-15/h1-13H,14H2,(H,23,24)
InChIKeyMRRRWABGPGKSLZ-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl] 3-fluorobenzoate
CID 2427007
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
3-O-[2-(4-fluoroanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860643
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 3-fluorobenzoate
CID 9198592
[2-oxo-2-(4-phenylanilino)ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 32960065
[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606526
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
(2-anilino-2-oxoethyl) 3-phenoxybenzoate
CID 2511602
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 3-fluorobenzoate
CID 18777850
[2-(4-fluoroanilino)-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 29312667
[2-(3-fluoroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515125

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate?
The IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate (CID 8611982) is [2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate is O=C(COC(=O)c1cccc(F)c1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate?
The InChIKey is MRRRWABGPGKSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3/c22-18-8-4-7-17(13-18)21(25)26-14-20(24)23-19-11-9-16(10-12-19)15-5-2-1-3-6-15/h1-13H,14H2,(H,23,24).
What are the key properties of [2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate?
[2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate has a molecular weight of 349.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylanilino)ethyl] 3-fluorobenzoate is sourced from PubChem (CID 8611982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).