[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate

C16H13Cl3N2O4 — CID 8616530

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2O4/c1-24-13-3-2-10(17)4-9(13)5-15(23)25-8-14(22)21-16-12(19)6-11(18)7-20-16/h2-4,6-7H,5,8H2,1H3,(H,20,21,22)
InChIKeyPQSHGDDDIAKEAI-UHFFFAOYSA-N
MW403.65 g/mol
LogP3.77
Rot. Bonds6

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 8616530) has the molecular formula C16H13Cl3N2O4 and a molecular weight of 403.65 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID8616530
Molecular FormulaC16H13Cl3N2O4
Molecular Weight403.65 g/mol
Exact Mass401.99
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2O4/c1-24-13-3-2-10(17)4-9(13)5-15(23)25-8-14(22)21-16-12(19)6-11(18)7-20-16/h2-4,6-7H,5,8H2,1H3,(H,20,21,22)
InChIKeyPQSHGDDDIAKEAI-UHFFFAOYSA-N
XLogP3.77
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.65
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3343843
[2-(4-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615173
[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615244
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2386397
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 3527089
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2373568
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2373981
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535572
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527877
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2450474
[2-(3-ethylanilino)-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615444
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617679

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate (CID 8616530) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate is COc1ccc(Cl)cc1CC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is PQSHGDDDIAKEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O4/c1-24-13-3-2-10(17)4-9(13)5-15(23)25-8-14(22)21-16-12(19)6-11(18)7-20-16/h2-4,6-7H,5,8H2,1H3,(H,20,21,22).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 403.65 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 8616530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).