[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate

C15H9Cl3FNO3 — CID 2353255

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl3FNO3/c16-10-2-1-3-11(17)14(10)20-13(21)7-23-15(22)9-5-4-8(19)6-12(9)18/h1-6H,7H2,(H,20,21)
InChIKeyNVEPDGVDYKUGAW-UHFFFAOYSA-N
MW376.60 g/mol
LogP4.58
Rot. Bonds4

About [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate

[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate (PubChem CID 2353255) has the molecular formula C15H9Cl3FNO3 and a molecular weight of 376.60 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
PubChem CID2353255
Molecular FormulaC15H9Cl3FNO3
Molecular Weight376.60 g/mol
Exact Mass374.96
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl3FNO3/c16-10-2-1-3-11(17)14(10)20-13(21)7-23-15(22)9-5-4-8(19)6-12(9)18/h1-6H,7H2,(H,20,21)
InChIKeyNVEPDGVDYKUGAW-UHFFFAOYSA-N
XLogP4.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.60
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2416966
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 8764087
[2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570281
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349879
[2-(4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349809
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823566
[2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555034
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7859063
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570088
[2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570348
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2397872
[2-(2,6-dichloroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2361469

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate (CID 2353255) is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1Cl)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The InChIKey is NVEPDGVDYKUGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3FNO3/c16-10-2-1-3-11(17)14(10)20-13(21)7-23-15(22)9-5-4-8(19)6-12(9)18/h1-6H,7H2,(H,20,21).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate has a molecular weight of 376.60 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate is sourced from PubChem (CID 2353255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).