[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate

C16H12F3NO3 — CID 8589809

IUPAC[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1cccc(F)c1)Nc1cc(F)ccc1F
InChIInChI=1S/C16H12F3NO3/c17-11-3-1-2-10(6-11)7-16(22)23-9-15(21)20-14-8-12(18)4-5-13(14)19/h1-6,8H,7,9H2,(H,20,21)
InChIKeyJYTHJWXQBWHDQI-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.83
Rot. Bonds5

About [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate (PubChem CID 8589809) has the molecular formula C16H12F3NO3 and a molecular weight of 323.27 g/mol. Its IUPAC name is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
PubChem CID8589809
Molecular FormulaC16H12F3NO3
Molecular Weight323.27 g/mol
Exact Mass323.08
IUPAC Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1cccc(F)c1)Nc1cc(F)ccc1F
InChIInChI=1S/C16H12F3NO3/c17-11-3-1-2-10(6-11)7-16(22)23-9-15(21)20-14-8-12(18)4-5-13(14)19/h1-6,8H,7,9H2,(H,20,21)
InChIKeyJYTHJWXQBWHDQI-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 71820754
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590501
[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589788
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823024
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7834140
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2506722
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791318
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate
CID 8589912
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676134
[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590404
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812479
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840305

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate (CID 8589809) is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate.
What is the SMILES notation for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The canonical SMILES for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate is O=C(COC(=O)Cc1cccc(F)c1)Nc1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate?
The InChIKey is JYTHJWXQBWHDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO3/c17-11-3-1-2-10(6-11)7-16(22)23-9-15(21)20-14-8-12(18)4-5-13(14)19/h1-6,8H,7,9H2,(H,20,21).
What are the key properties of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate?
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate has a molecular weight of 323.27 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 8589809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).