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

C16H11Cl2N3O4 — CID 3453907

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2N3O4/c17-11-5-12(18)16(20-7-11)21-14(22)8-25-15(23)9-24-13-4-2-1-3-10(13)6-19/h1-5,7H,8-9H2,(H,20,21,22)
InChIKeyPIBNOGBKBKRGNY-UHFFFAOYSA-N
MW380.19 g/mol
LogP2.82
Rot. Bonds6

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

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 3453907) has the molecular formula C16H11Cl2N3O4 and a molecular weight of 380.19 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
PubChem CID3453907
Molecular FormulaC16H11Cl2N3O4
Molecular Weight380.19 g/mol
Exact Mass379.01
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2N3O4/c17-11-5-12(18)16(20-7-11)21-14(22)8-25-15(23)9-24-13-4-2-1-3-10(13)6-19/h1-5,7H,8-9H2,(H,20,21,22)
InChIKeyPIBNOGBKBKRGNY-UHFFFAOYSA-N
XLogP2.82
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3343843
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527877
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyanobenzoate
CID 2626390
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2373568
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2124208
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317702
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805358
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 2381180
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318132
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 3913836
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 4184238

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate (CID 3453907) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate is N#Cc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is PIBNOGBKBKRGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O4/c17-11-5-12(18)16(20-7-11)21-14(22)8-25-15(23)9-24-13-4-2-1-3-10(13)6-19/h1-5,7H,8-9H2,(H,20,21,22).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 380.19 g/mol, XLogP of 2.82, 6 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] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 3453907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).