[2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate

C15H9ClF3NO3 — CID 8620176

IUPAC[2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1F)Nc1cc(F)ccc1F
InChIInChI=1S/C15H9ClF3NO3/c16-8-1-3-11(18)10(5-8)15(22)23-7-14(21)20-13-6-9(17)2-4-12(13)19/h1-6H,7H2,(H,20,21)
InChIKeyUDYGKRRHJABDCD-UHFFFAOYSA-N
MW343.69 g/mol
LogP3.55
Rot. Bonds4

About [2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate

[2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate (PubChem CID 8620176) has the molecular formula C15H9ClF3NO3 and a molecular weight of 343.69 g/mol. Its IUPAC name is [2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name[2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
PubChem CID8620176
Molecular FormulaC15H9ClF3NO3
Molecular Weight343.69 g/mol
Exact Mass343.02
IUPAC Name[2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1F)Nc1cc(F)ccc1F
InChIInChI=1S/C15H9ClF3NO3/c16-8-1-3-11(18)10(5-8)15(22)23-7-14(21)20-13-6-9(17)2-4-12(13)19/h1-6H,7H2,(H,20,21)
InChIKeyUDYGKRRHJABDCD-UHFFFAOYSA-N
XLogP3.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.69
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604243
[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619875
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823562
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7809812
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349879
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387880
[2-(3-chloroanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925028
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2630963
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619913
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149171
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864568
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 2616418

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
The IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate (CID 8620176) is [2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate.
What is the SMILES notation for [2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
The canonical SMILES for [2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate is O=C(COC(=O)c1cc(Cl)ccc1F)Nc1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
The InChIKey is UDYGKRRHJABDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO3/c16-8-1-3-11(18)10(5-8)15(22)23-7-14(21)20-13-6-9(17)2-4-12(13)19/h1-6H,7H2,(H,20,21).
What are the key properties of [2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
[2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate has a molecular weight of 343.69 g/mol, XLogP of 3.55, 4 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] 5-chloro-2-fluorobenzoate is sourced from PubChem (CID 8620176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).