[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate

C16H13Cl2NO3 — CID 2489076

IUPAC[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)NCc1ccccc1
InChIInChI=1S/C16H13Cl2NO3/c17-12-7-4-8-13(18)15(12)16(21)22-10-14(20)19-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)
InChIKeyNAOFOSYBWCBHPZ-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.47
Rot. Bonds5

About [2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate

[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 2489076) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID2489076
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)NCc1ccccc1
InChIInChI=1S/C16H13Cl2NO3/c17-12-7-4-8-13(18)15(12)16(21)22-10-14(20)19-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20)
InChIKeyNAOFOSYBWCBHPZ-UHFFFAOYSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate
CID 171350713
[2-(benzylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 4803829
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate
CID 2364548
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007363
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
CID 7514858
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
[2-(benzylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538376
[2-(benzylamino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2631389
[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662207
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167
[2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723836
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate
CID 2624351

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate (CID 2489076) is [2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate is O=C(COC(=O)c1c(Cl)cccc1Cl)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is NAOFOSYBWCBHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c17-12-7-4-8-13(18)15(12)16(21)22-10-14(20)19-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,20).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 338.19 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 2489076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).