[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate

C17H14Cl2FNO4 — CID 7791670

IUPAC[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCc1ccc(Cl)c(NC(=O)COC(=O)COc2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H14Cl2FNO4/c1-10-2-7-13(18)17(16(10)19)21-14(22)8-25-15(23)9-24-12-5-3-11(20)4-6-12/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyCBAHUBNCTQPSBY-UHFFFAOYSA-N
MW386.21 g/mol
LogP4.00
Rot. Bonds6

About [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate (PubChem CID 7791670) has the molecular formula C17H14Cl2FNO4 and a molecular weight of 386.21 g/mol. Its IUPAC name is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
PubChem CID7791670
Molecular FormulaC17H14Cl2FNO4
Molecular Weight386.21 g/mol
Exact Mass385.03
IUPAC Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCc1ccc(Cl)c(NC(=O)COC(=O)COc2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H14Cl2FNO4/c1-10-2-7-13(18)17(16(10)19)21-14(22)8-25-15(23)9-24-12-5-3-11(20)4-6-12/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyCBAHUBNCTQPSBY-UHFFFAOYSA-N
XLogP4.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichloro-3-methylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7788200
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2349915
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
N-(2,6-dichloro-3-methylphenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744134
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
N-(2,6-dichloro-3-methylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7840994
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791448
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507950
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518276
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844747
[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791260

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate (CID 7791670) is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate is Cc1ccc(Cl)c(NC(=O)COC(=O)COc2ccc(F)cc2)c1Cl.
What is the InChIKey of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The InChIKey is CBAHUBNCTQPSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FNO4/c1-10-2-7-13(18)17(16(10)19)21-14(22)8-25-15(23)9-24-12-5-3-11(20)4-6-12/h2-7H,8-9H2,1H3,(H,21,22).
What are the key properties of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate has a molecular weight of 386.21 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 7791670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).