[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

C21H15F2NO4 — CID 7133651

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H15F2NO4/c22-16-7-10-19(18(23)11-16)24-20(26)12-28-21(27)15-3-1-13(2-4-15)14-5-8-17(25)9-6-14/h1-11,25H,12H2,(H,24,26)
InChIKeyAALCFVRDTILSGQ-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.13
Rot. Bonds5

About [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (PubChem CID 7133651) has the molecular formula C21H15F2NO4 and a molecular weight of 383.35 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
PubChem CID7133651
Molecular FormulaC21H15F2NO4
Molecular Weight383.35 g/mol
Exact Mass383.10
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H15F2NO4/c22-16-7-10-19(18(23)11-16)24-20(26)12-28-21(27)15-3-1-13(2-4-15)14-5-8-17(25)9-6-14/h1-11,25H,12H2,(H,24,26)
InChIKeyAALCFVRDTILSGQ-UHFFFAOYSA-N
XLogP4.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 2356763
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2627910
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828167
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2373388
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-bromobenzoate
CID 2625811
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7588489
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229200
[2-(2,4-difluoroanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512889
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 46860441
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823562
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781013
4-O-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506531

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (CID 7133651) is [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The InChIKey is AALCFVRDTILSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO4/c22-16-7-10-19(18(23)11-16)24-20(26)12-28-21(27)15-3-1-13(2-4-15)14-5-8-17(25)9-6-14/h1-11,25H,12H2,(H,24,26).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate has a molecular weight of 383.35 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 7133651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).