[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C17H13Cl3FNO3 — CID 2399513

IUPAC[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl3FNO3/c18-11-5-4-10(14(20)6-11)8-22-16(23)9-25-17(24)7-12-13(19)2-1-3-15(12)21/h1-6H,7-9H2,(H,22,23)
InChIKeyFKKGDTNQPZBSPE-UHFFFAOYSA-N
MW404.65 g/mol
LogP4.19
Rot. Bonds6

About [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 2399513) has the molecular formula C17H13Cl3FNO3 and a molecular weight of 404.65 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID2399513
Molecular FormulaC17H13Cl3FNO3
Molecular Weight404.65 g/mol
Exact Mass402.99
IUPAC Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(F)cccc1Cl)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl3FNO3/c18-11-5-4-10(14(20)6-11)8-22-16(23)9-25-17(24)7-12-13(19)2-1-3-15(12)21/h1-6H,7-9H2,(H,22,23)
InChIKeyFKKGDTNQPZBSPE-UHFFFAOYSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.65
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Chlorophenyl)-2-oxoethyl (benzoylamino)acetate
CID 1615618
[2-[(2,4-Dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717266
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2394155
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 2428350
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2514531
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2547991
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-phenylbutanoate
CID 4876593
[2-[Benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356232
(2-Oxo-2-piperidin-1-ylethyl) 2-(2,4-dichlorophenyl)acetate
CID 2358398
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2365140
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2387587
[2-(Cyclopentylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2389868

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 2399513) is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is O=C(COC(=O)Cc1c(F)cccc1Cl)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is FKKGDTNQPZBSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3FNO3/c18-11-5-4-10(14(20)6-11)8-22-16(23)9-25-17(24)7-12-13(19)2-1-3-15(12)21/h1-6H,7-9H2,(H,22,23).
What are the key properties of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 404.65 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 2399513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).