[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

C16H13Cl2FN2O4 — CID 8005222

IUPAC[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCc1nc(NC(=O)COC(=O)COc2ccccc2F)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2FN2O4/c1-9-10(17)6-11(18)16(20-9)21-14(22)7-25-15(23)8-24-13-5-3-2-4-12(13)19/h2-6H,7-8H2,1H3,(H,20,21,22)
InChIKeyFAPYXRYYJFEOCF-UHFFFAOYSA-N
MW387.19 g/mol
LogP3.40
Rot. Bonds6

About [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 8005222) has the molecular formula C16H13Cl2FN2O4 and a molecular weight of 387.19 g/mol. Its IUPAC name is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
PubChem CID8005222
Molecular FormulaC16H13Cl2FN2O4
Molecular Weight387.19 g/mol
Exact Mass386.02
IUPAC Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESCc1nc(NC(=O)COC(=O)COc2ccccc2F)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2FN2O4/c1-9-10(17)6-11(18)16(20-9)21-14(22)7-25-15(23)8-24-13-5-3-2-4-12(13)19/h2-6H,7-8H2,1H3,(H,20,21,22)
InChIKeyFAPYXRYYJFEOCF-UHFFFAOYSA-N
XLogP3.40
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.19
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (CID 8005222) is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is Cc1nc(NC(=O)COC(=O)COc2ccccc2F)c(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is FAPYXRYYJFEOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O4/c1-9-10(17)6-11(18)16(20-9)21-14(22)7-25-15(23)8-24-13-5-3-2-4-12(13)19/h2-6H,7-8H2,1H3,(H,20,21,22).
What are the key properties of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 387.19 g/mol, XLogP of 3.40, 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-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 8005222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).