[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C16H14Cl2N2O4 — CID 2359410

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2O4/c1-2-23-15-10(5-4-8-19-15)16(22)24-9-13(21)20-14-11(17)6-3-7-12(14)18/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyBLTVXXVWBFGUGB-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.58
Rot. Bonds6

About [2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2359410) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2359410
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2O4/c1-2-23-15-10(5-4-8-19-15)16(22)24-9-13(21)20-14-11(17)6-3-7-12(14)18/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyBLTVXXVWBFGUGB-UHFFFAOYSA-N
XLogP3.58
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 55315049
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2545117
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 18198826
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497957
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497885
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497740
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497721
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497980
(2-benzamido-2-oxoethyl) 2-ethoxypyridine-3-carboxylate
CID 7998156
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2344631
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497678
[2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 7381928

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 2359410) is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is BLTVXXVWBFGUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c1-2-23-15-10(5-4-8-19-15)16(22)24-9-13(21)20-14-11(17)6-3-7-12(14)18/h3-8H,2,9H2,1H3,(H,20,21).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 369.20 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2359410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).