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

C15H9Cl3FNO3 — CID 7859063

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl3FNO3/c16-8-3-2-6-11(19)13(8)15(22)23-7-12(21)20-14-9(17)4-1-5-10(14)18/h1-6H,7H2,(H,20,21)
InChIKeyGCYIQJGPNWJTTF-UHFFFAOYSA-N
MW376.60 g/mol
LogP4.58
Rot. Bonds4

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

[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate (PubChem CID 7859063) 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-6-fluorobenzoate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
PubChem CID7859063
Molecular FormulaC15H9Cl3FNO3
Molecular Weight376.60 g/mol
Exact Mass374.96
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl3FNO3/c16-8-3-2-6-11(19)13(8)15(22)23-7-12(21)20-14-9(17)4-1-5-10(14)18/h1-6H,7H2,(H,20,21)
InChIKeyGCYIQJGPNWJTTF-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-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820358
[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2356595
[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 3638109
[2-(4-tert-butylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820713
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2500864
[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 16529376
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007363
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 16540717
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate
CID 7820383
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2353255
[2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723836

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate (CID 7859063) is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate is O=C(COC(=O)c1c(F)cccc1Cl)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The InChIKey is GCYIQJGPNWJTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3FNO3/c16-8-3-2-6-11(19)13(8)15(22)23-7-12(21)20-14-9(17)4-1-5-10(14)18/h1-6H,7H2,(H,20,21).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-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-6-fluorobenzoate is sourced from PubChem (CID 7859063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).