[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate

C16H12Cl2FNO4 — CID 71823508

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C16H12Cl2FNO4/c1-23-14-5-2-9(17)6-13(14)20-15(21)8-24-16(22)11-7-10(19)3-4-12(11)18/h2-7H,8H2,1H3,(H,20,21)
InChIKeyFESTYKZTPOATKP-UHFFFAOYSA-N
MW372.18 g/mol
LogP3.94
Rot. Bonds5

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate (PubChem CID 71823508) has the molecular formula C16H12Cl2FNO4 and a molecular weight of 372.18 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
PubChem CID71823508
Molecular FormulaC16H12Cl2FNO4
Molecular Weight372.18 g/mol
Exact Mass371.01
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C16H12Cl2FNO4/c1-23-14-5-2-9(17)6-13(14)20-15(21)8-24-16(22)11-7-10(19)3-4-12(11)18/h2-7H,8H2,1H3,(H,20,21)
InChIKeyFESTYKZTPOATKP-UHFFFAOYSA-N
XLogP3.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823562
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8610264
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 41279847
[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629592
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582401
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-bromobenzoate
CID 2624069
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 41156292
[2-(2,5-dichloroanilino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 2505004
[2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620176
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7809812
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485517
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7766550

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate (CID 71823508) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate is COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(F)ccc1Cl.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate?
The InChIKey is FESTYKZTPOATKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO4/c1-23-14-5-2-9(17)6-13(14)20-15(21)8-24-16(22)11-7-10(19)3-4-12(11)18/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate has a molecular weight of 372.18 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate is sourced from PubChem (CID 71823508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).