[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

C16H12Cl2FNO3 — CID 4854024

IUPAC[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2FNO3/c17-11-3-6-14(13(18)8-11)20-15(21)9-23-16(22)7-10-1-4-12(19)5-2-10/h1-6,8H,7,9H2,(H,20,21)
InChIKeyOMBLJJSZSHOWGY-UHFFFAOYSA-N
MW356.18 g/mol
LogP3.86
Rot. Bonds5

About [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (PubChem CID 4854024) has the molecular formula C16H12Cl2FNO3 and a molecular weight of 356.18 g/mol. Its IUPAC name is [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
PubChem CID4854024
Molecular FormulaC16H12Cl2FNO3
Molecular Weight356.18 g/mol
Exact Mass355.02
IUPAC Name[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2FNO3/c17-11-3-6-14(13(18)8-11)20-15(21)9-23-16(22)7-10-1-4-12(19)5-2-10/h1-6,8H,7,9H2,(H,20,21)
InChIKeyOMBLJJSZSHOWGY-UHFFFAOYSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759267
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759377
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001259
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651131
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759274
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590501
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613267
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612965
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915570
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate (CID 4854024) is [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
The InChIKey is OMBLJJSZSHOWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO3/c17-11-3-6-14(13(18)8-11)20-15(21)9-23-16(22)7-10-1-4-12(19)5-2-10/h1-6,8H,7,9H2,(H,20,21).
What are the key properties of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate?
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate has a molecular weight of 356.18 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 4854024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).