[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate

C21H16FNO3 — CID 7229246

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C21H16FNO3/c22-18-12-6-7-13-19(18)23-20(24)14-26-21(25)17-11-5-4-10-16(17)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,24)
InChIKeyRADGRIYOUWFAJJ-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.29
Rot. Bonds5

About [2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate

[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate (PubChem CID 7229246) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
PubChem CID7229246
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C21H16FNO3/c22-18-12-6-7-13-19(18)23-20(24)14-26-21(25)17-11-5-4-10-16(17)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,24)
InChIKeyRADGRIYOUWFAJJ-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-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229200
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229184
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 2630367
[2-(2-fluoroanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566490
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7762622
[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611829
[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2356595
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate
CID 7554635
[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229076

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate (CID 7229246) is [2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate is O=C(COC(=O)c1ccccc1-c1ccccc1)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate?
The InChIKey is RADGRIYOUWFAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3/c22-18-12-6-7-13-19(18)23-20(24)14-26-21(25)17-11-5-4-10-16(17)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,24).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate?
[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate 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-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate is sourced from PubChem (CID 7229246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).