2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate

C12H11Cl2NO4 — CID 7843867

IUPAC2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO4/c1-7(16)6-19-11(17)5-15-12(18)9-3-2-8(13)4-10(9)14/h2-4H,5-6H2,1H3,(H,15,18)
InChIKeyAQVWOHSWASVZER-UHFFFAOYSA-N
MW304.13 g/mol
LogP1.86
Rot. Bonds5

About 2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate

2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 7843867) has the molecular formula C12H11Cl2NO4 and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID7843867
Molecular FormulaC12H11Cl2NO4
Molecular Weight304.13 g/mol
Exact Mass303.01
IUPAC Name2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO4/c1-7(16)6-19-11(17)5-15-12(18)9-3-2-8(13)4-10(9)14/h2-4H,5-6H2,1H3,(H,15,18)
InChIKeyAQVWOHSWASVZER-UHFFFAOYSA-N
XLogP1.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270751
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843801
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 55399586
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270722
2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843780
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16533895
[2-(cyclohexylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843884
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843883
[2-(1-adamantyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 4299627
2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843771
[2-oxo-2-(4-phenylanilino)ethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 35945777
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 31124240

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of 2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 7843867) is 2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for 2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for 2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate is CC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is AQVWOHSWASVZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO4/c1-7(16)6-19-11(17)5-15-12(18)9-3-2-8(13)4-10(9)14/h2-4H,5-6H2,1H3,(H,15,18).
What are the key properties of 2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 304.13 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 7843867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).