[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C15H10Cl3FN2O3 — CID 2386397

IUPAC[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3FN2O3/c16-8-4-11(18)15(20-6-8)21-13(22)7-24-14(23)5-9-10(17)2-1-3-12(9)19/h1-4,6H,5,7H2,(H,20,21,22)
InChIKeyHTAJHVZZDHUWGM-UHFFFAOYSA-N
MW391.61 g/mol
LogP3.91
Rot. Bonds5

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

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 2386397) has the molecular formula C15H10Cl3FN2O3 and a molecular weight of 391.61 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID2386397
Molecular FormulaC15H10Cl3FN2O3
Molecular Weight391.61 g/mol
Exact Mass389.97
IUPAC Name[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3FN2O3/c16-8-4-11(18)15(20-6-8)21-13(22)7-24-14(23)5-9-10(17)2-1-3-12(9)19/h1-4,6H,5,7H2,(H,20,21,22)
InChIKeyHTAJHVZZDHUWGM-UHFFFAOYSA-N
XLogP3.91
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.61
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2373568
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616530
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718355
[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] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535572
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718393
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718250
methyl 2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7718380
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718405
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718334
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805358

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 2386397) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is HTAJHVZZDHUWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3FN2O3/c16-8-4-11(18)15(20-6-8)21-13(22)7-24-14(23)5-9-10(17)2-1-3-12(9)19/h1-4,6H,5,7H2,(H,20,21,22).
What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 391.61 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 2386397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).