[2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate

C21H16FNO3 — CID 2378619

IUPAC[2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1F
InChIInChI=1S/C21H16FNO3/c22-18-12-6-4-10-16(18)20(24)14-26-21(25)17-11-5-7-13-19(17)23-15-8-2-1-3-9-15/h1-13,23H,14H2
InChIKeyFNGDGGXFJKBRBL-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.61
Rot. Bonds6

About [2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate

[2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate (PubChem CID 2378619) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate
PubChem CID2378619
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Name[2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1F
InChIInChI=1S/C21H16FNO3/c22-18-12-6-4-10-16(18)20(24)14-26-21(25)17-11-5-7-13-19(17)23-15-8-2-1-3-9-15/h1-13,23H,14H2
InChIKeyFNGDGGXFJKBRBL-UHFFFAOYSA-N
XLogP4.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 7857721
(3-fluorophenyl)methyl 2-anilinobenzoate
CID 4574449
[2-(dimethylamino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate
CID 18074805
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate
CID 7857667
[2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate
CID 4063744
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate
CID 4791061
[2-(2-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7501091
(2-chlorophenyl)methyl 2-anilinobenzoate
CID 5148106
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3694895
[2-oxo-2-(propylamino)ethyl] 2-(4-fluoroanilino)benzoate
CID 2611926
[2-(2-chlorophenyl)-2-oxoethyl] 2-acetamidobenzoate
CID 2066331
ethyl 2-(4-chloroanilino)benzoate
CID 82535773

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate?
The IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate (CID 2378619) is [2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate.
What is the SMILES notation for [2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate?
The canonical SMILES for [2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate is O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate?
The InChIKey is FNGDGGXFJKBRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3/c22-18-12-6-4-10-16(18)20(24)14-26-21(25)17-11-5-7-13-19(17)23-15-8-2-1-3-9-15/h1-13,23H,14H2.
What are the key properties of [2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate?
[2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate has a molecular weight of 349.36 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate is sourced from PubChem (CID 2378619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).