[2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

C17H15Cl2NO3 — CID 2606052

IUPAC[2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(Cl)cccc1Cl)NCc1ccccc1
InChIInChI=1S/C17H15Cl2NO3/c18-14-7-4-8-15(19)13(14)9-17(22)23-11-16(21)20-10-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,21)
InChIKeyZWQVPVWYKAKVFO-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.40
Rot. Bonds6

About [2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

[2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 2606052) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID2606052
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(Cl)cccc1Cl)NCc1ccccc1
InChIInChI=1S/C17H15Cl2NO3/c18-14-7-4-8-15(19)13(14)9-17(22)23-11-16(21)20-10-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,21)
InChIKeyZWQVPVWYKAKVFO-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.40
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-chlorophenyl)-2-oxoethyl N-(phenylacetyl)glycinate
CID 1619325
[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-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(2,6-dichlorophenyl)acetate
CID 4151527
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-phenylbutanoate
CID 4876593
Ethyl 3-(2-chlorophenyl)-3-[(phenylacetyl)amino]propanoate
CID 4028833
2-(2-Chlorophenyl)-2-oxoethyl {[(benzoylamino)acetyl]amino}acetate
CID 1616703
[2-[Benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356232

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 2606052) is [2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is O=C(COC(=O)Cc1c(Cl)cccc1Cl)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is ZWQVPVWYKAKVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c18-14-7-4-8-15(19)13(14)9-17(22)23-11-16(21)20-10-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,21).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 352.22 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 2606052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).