[2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

C12H13Cl2NO3 — CID 2514718

IUPAC[2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESCCNC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO3/c1-2-15-11(16)7-18-12(17)6-8-3-4-9(13)10(14)5-8/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKeyBROHDKISJVQRSA-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.22
Rot. Bonds5

About [2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

[2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 2514718) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
PubChem CID2514718
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name[2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESCCNC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO3/c1-2-15-11(16)7-18-12(17)6-8-3-4-9(13)10(14)5-8/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKeyBROHDKISJVQRSA-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 9203232
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514803
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514768
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(3,4-dichlorophenyl)acetate
CID 9203223
methyl (2S,3S)-2-[[2-[2-(3,4-dichlorophenyl)acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 9203213
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(3,4-dichlorophenyl)acetate
CID 7725051
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2536266
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514782
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-(3,4-dichlorophenyl)acetate
CID 30517012
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 9201063
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724950
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7725126

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (CID 2514718) is [2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is CCNC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is BROHDKISJVQRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-2-15-11(16)7-18-12(17)6-8-3-4-9(13)10(14)5-8/h3-5H,2,6-7H2,1H3,(H,15,16).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
[2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 290.15 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 2514718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).