[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate

C15H10ClF2NO3 — CID 3638109

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1F)Nc1ccccc1Cl
InChIInChI=1S/C15H10ClF2NO3/c16-9-4-1-2-7-12(9)19-13(20)8-22-15(21)14-10(17)5-3-6-11(14)18/h1-7H,8H2,(H,19,20)
InChIKeyLRBKYKQNIUOOHI-UHFFFAOYSA-N
MW325.70 g/mol
LogP3.41
Rot. Bonds4

About [2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate

[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate (PubChem CID 3638109) has the molecular formula C15H10ClF2NO3 and a molecular weight of 325.70 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
PubChem CID3638109
Molecular FormulaC15H10ClF2NO3
Molecular Weight325.70 g/mol
Exact Mass325.03
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1F)Nc1ccccc1Cl
InChIInChI=1S/C15H10ClF2NO3/c16-9-4-1-2-7-12(9)19-13(20)8-22-15(21)14-10(17)5-3-6-11(14)18/h1-7H,8H2,(H,19,20)
InChIKeyLRBKYKQNIUOOHI-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate 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-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2356595
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7859063
[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619875
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515672
[2-(2-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2396477
[2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515596
[2-(2-chloroanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355317
[2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628238
[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820358
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2,6-difluorobenzoate
CID 7725739
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820428

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate (CID 3638109) is [2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate is O=C(COC(=O)c1c(F)cccc1F)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate?
The InChIKey is LRBKYKQNIUOOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO3/c16-9-4-1-2-7-12(9)19-13(20)8-22-15(21)14-10(17)5-3-6-11(14)18/h1-7H,8H2,(H,19,20).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate?
[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate has a molecular weight of 325.70 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate is sourced from PubChem (CID 3638109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).