[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate

C16H15ClN2O4 — CID 2093783

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H15ClN2O4/c1-11-4-2-3-5-13(11)22-10-16(21)23-9-15(20)19-14-7-6-12(17)8-18-14/h2-8H,9-10H2,1H3,(H,18,19,20)
InChIKeyIEFMLOFELKSNRF-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.60
Rot. Bonds6

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 2093783) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID2093783
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H15ClN2O4/c1-11-4-2-3-5-13(11)22-10-16(21)23-9-15(20)19-14-7-6-12(17)8-18-14/h2-8H,9-10H2,1H3,(H,18,19,20)
InChIKeyIEFMLOFELKSNRF-UHFFFAOYSA-N
XLogP2.60
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloropyridin-2-yl)-2-phenoxyacetamide
CID 738246
N-(5-chloropyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3155499
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 2129011
N-(3-methyl-2-pyridinyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 17395946
2-((3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)-N-(pyridin-2-yl)acetamide
CID 17582742
1-(5-Chloro-2-pyridyl)-3-[2-(3-ethoxy-2-fluoro-6-methoxy-phenyl)ethyl]urea
CID 469202
2-(2-Methoxy-phenoxy)-N-pyridin-2-yl-acetamide
CID 648158
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
2-[3-(5-Chloro-pyridin-2-yl)-ureido]-3,3,3-trifluoro-2-(4-fluoro-phenoxy)-propionic acid ethyl ester
CID 3514320
1-(3-Benzyloxypyridin-2-yl)-3-(3-chlorophenyl)urea
CID 4128827
N'-(5-chloro-2-pyridinyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996135
2-[(5-chloro-2-pyridinyl)oxy]-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 59509027

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 2093783) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is IEFMLOFELKSNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-11-4-2-3-5-13(11)22-10-16(21)23-9-15(20)19-14-7-6-12(17)8-18-14/h2-8H,9-10H2,1H3,(H,18,19,20).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 334.76 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 2093783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).