[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate

C14H9Cl3N2O3 — CID 2617414

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
SMILESO=C(COC(=O)c1cccc(Cl)c1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H9Cl3N2O3/c15-8-4-5-11(18-6-8)19-12(20)7-22-14(21)9-2-1-3-10(16)13(9)17/h1-6H,7H2,(H,18,19,20)
InChIKeyYIVAFJATICWAOD-UHFFFAOYSA-N
MW359.60 g/mol
LogP3.84
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate (PubChem CID 2617414) has the molecular formula C14H9Cl3N2O3 and a molecular weight of 359.60 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
PubChem CID2617414
Molecular FormulaC14H9Cl3N2O3
Molecular Weight359.60 g/mol
Exact Mass357.97
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
SMILESO=C(COC(=O)c1cccc(Cl)c1Cl)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H9Cl3N2O3/c15-8-4-5-11(18-6-8)19-12(20)7-22-14(21)9-2-1-3-10(16)13(9)17/h1-6H,7H2,(H,18,19,20)
InChIKeyYIVAFJATICWAOD-UHFFFAOYSA-N
XLogP3.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 2545119
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873014
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 2479152
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2545117
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2554738
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870707
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492901
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23773548
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2079261
N-(5-chloro-2-pyridinyl)-2-(2,3-dichloroanilino)acetamide
CID 78821308
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23818620
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 4792667

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate (CID 2617414) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate is O=C(COC(=O)c1cccc(Cl)c1Cl)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate?
The InChIKey is YIVAFJATICWAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2O3/c15-8-4-5-11(18-6-8)19-12(20)7-22-14(21)9-2-1-3-10(16)13(9)17/h1-6H,7H2,(H,18,19,20).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate has a molecular weight of 359.60 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate is sourced from PubChem (CID 2617414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).