[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate

C20H21ClN2O4 — CID 8671570

IUPAC[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O4/c1-14(24)23-18-8-4-16(5-9-18)12-20(26)27-13-19(25)22-11-10-15-2-6-17(21)7-3-15/h2-9H,10-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyXKHOHQRROQBWPY-UHFFFAOYSA-N
MW388.85 g/mol
LogP2.74
Rot. Bonds8

About [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8671570) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8671570
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O4/c1-14(24)23-18-8-4-16(5-9-18)12-20(26)27-13-19(25)22-11-10-15-2-6-17(21)7-3-15/h2-9H,10-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyXKHOHQRROQBWPY-UHFFFAOYSA-N
XLogP2.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608709
[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8610278
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2569917
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8609899
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 9229357
methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7750430
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514768
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209221
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate (CID 8671570) is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCC(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is XKHOHQRROQBWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-14(24)23-18-8-4-16(5-9-18)12-20(26)27-13-19(25)22-11-10-15-2-6-17(21)7-3-15/h2-9H,10-13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 388.85 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8671570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).