[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate

C15H12Cl2N2O3 — CID 8905906

IUPAC[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cc(Cl)ccn2)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-9-2-3-11(7-12(9)17)19-14(20)8-22-15(21)13-6-10(16)4-5-18-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUEVQZQHUDPFOBH-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.49
Rot. Bonds4

About [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate (PubChem CID 8905906) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
PubChem CID8905906
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2cc(Cl)ccn2)cc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c1-9-2-3-11(7-12(9)17)19-14(20)8-22-15(21)13-6-10(16)4-5-18-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUEVQZQHUDPFOBH-UHFFFAOYSA-N
XLogP3.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 4-chloropyridine-2-carboxylate
CID 8804340
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235492
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723787
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8906032
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8906593
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 46648887
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671109
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8906394
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8804293
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2715202
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 4801727

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate?
The IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate (CID 8905906) is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate.
What is the SMILES notation for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate?
The canonical SMILES for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate is Cc1ccc(NC(=O)COC(=O)c2cc(Cl)ccn2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate?
The InChIKey is UEVQZQHUDPFOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-9-2-3-11(7-12(9)17)19-14(20)8-22-15(21)13-6-10(16)4-5-18-13/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate?
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate has a molecular weight of 339.18 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate is sourced from PubChem (CID 8905906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).