[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate

C17H16Cl2N2O5 — CID 2376140

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
SMILESCOc1ccccc1OCCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O5/c1-24-13-4-2-3-5-14(13)25-7-6-16(23)26-10-15(22)21-17-12(19)8-11(18)9-20-17/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,22)
InChIKeyZHPZKRZTLYZIML-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.35
Rot. Bonds8

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate (PubChem CID 2376140) has the molecular formula C17H16Cl2N2O5 and a molecular weight of 399.23 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
PubChem CID2376140
Molecular FormulaC17H16Cl2N2O5
Molecular Weight399.23 g/mol
Exact Mass398.04
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
SMILESCOc1ccccc1OCCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O5/c1-24-13-4-2-3-5-14(13)25-7-6-16(23)26-10-15(22)21-17-12(19)8-11(18)9-20-17/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,22)
InChIKeyZHPZKRZTLYZIML-UHFFFAOYSA-N
XLogP3.35
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-(1,3-benzodioxol-5-yloxy)-N-(5-chloropyridin-2-yl)acetamide
CID 6461641
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
2-(4-chlorophenoxy)-N-(5-chloropyridin-2-yl)acetamide
CID 646465
N-(5-chloropyridin-2-yl)-2-(2,4-dichlorophenoxy)acetamide
CID 871057
2-(2-chlorophenoxy)-N-(5-chloro-2-pyridinyl)acetamide
CID 883796
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate
CID 2109809
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate
CID 2418919

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate (CID 2376140) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate is COc1ccccc1OCCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
The InChIKey is ZHPZKRZTLYZIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5/c1-24-13-4-2-3-5-14(13)25-7-6-16(23)26-10-15(22)21-17-12(19)8-11(18)9-20-17/h2-5,8-9H,6-7,10H2,1H3,(H,20,21,22).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate has a molecular weight of 399.23 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate is sourced from PubChem (CID 2376140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).