[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate

C21H15F2NO3 — CID 7229200

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H15F2NO3/c22-15-10-11-19(18(23)12-15)24-20(25)13-27-21(26)17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25)
InChIKeyBLSCEZXVKZUXBO-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.43
Rot. Bonds5

About [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate (PubChem CID 7229200) has the molecular formula C21H15F2NO3 and a molecular weight of 367.35 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate
PubChem CID7229200
Molecular FormulaC21H15F2NO3
Molecular Weight367.35 g/mol
Exact Mass367.10
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H15F2NO3/c22-15-10-11-19(18(23)12-15)24-20(25)13-27-21(26)17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25)
InChIKeyBLSCEZXVKZUXBO-UHFFFAOYSA-N
XLogP4.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229246
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498559
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855189
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864568
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 18776513
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823562
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133651
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate
CID 35988585
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 2353347
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349879
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate
CID 7229070

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate (CID 7229200) is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate is O=C(COC(=O)c1ccccc1-c1ccccc1)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate?
The InChIKey is BLSCEZXVKZUXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO3/c22-15-10-11-19(18(23)12-15)24-20(25)13-27-21(26)17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate has a molecular weight of 367.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate is sourced from PubChem (CID 7229200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).