[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate

C15H10Cl4N2O4 — CID 41156292

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H10Cl4N2O4/c1-24-10-3-2-7(16)4-9(10)21-11(22)6-25-15(23)14-13(19)12(18)8(17)5-20-14/h2-5H,6H2,1H3,(H,21,22)
InChIKeySVRBZNOIXHUWJC-UHFFFAOYSA-N
MW424.07 g/mol
LogP4.50
Rot. Bonds5

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (PubChem CID 41156292) has the molecular formula C15H10Cl4N2O4 and a molecular weight of 424.07 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
PubChem CID41156292
Molecular FormulaC15H10Cl4N2O4
Molecular Weight424.07 g/mol
Exact Mass421.94
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C15H10Cl4N2O4/c1-24-10-3-2-7(16)4-9(10)21-11(22)6-25-15(23)14-13(19)12(18)8(17)5-20-14/h2-5H,6H2,1H3,(H,21,22)
InChIKeySVRBZNOIXHUWJC-UHFFFAOYSA-N
XLogP4.50
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.07
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8906394
[2-(3,4-difluoroanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 4270126
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484869
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823508
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2616368
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538476
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 41279847
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2592675
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-bromobenzoate
CID 2624069
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
[2-(4-acetylanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2485001
[2-(ethylamino)-2-oxoethyl] 4-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 25442275

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (CID 41156292) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate is COc1ccc(Cl)cc1NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The InChIKey is SVRBZNOIXHUWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N2O4/c1-24-10-3-2-7(16)4-9(10)21-11(22)6-25-15(23)14-13(19)12(18)8(17)5-20-14/h2-5H,6H2,1H3,(H,21,22).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate has a molecular weight of 424.07 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate is sourced from PubChem (CID 41156292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).