[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate

C18H17ClN2O4 — CID 8608586

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H17ClN2O4/c1-12(22)20-14-8-6-13(7-9-14)10-18(24)25-11-17(23)21-16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyRYNXZBPVGAVSMT-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.02
Rot. Bonds6

About [2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate

[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate (PubChem CID 8608586) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
PubChem CID8608586
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H17ClN2O4/c1-12(22)20-14-8-6-13(7-9-14)10-18(24)25-11-17(23)21-16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyRYNXZBPVGAVSMT-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8611810
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608774
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
[2-(2-chloroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523975
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579246
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 7825839
(2-amino-2-oxoethyl) 2-(4-acetamidophenyl)acetate
CID 8608168
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671570
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556272
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8609899

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate (CID 8608586) is [2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
The InChIKey is RYNXZBPVGAVSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-12(22)20-14-8-6-13(7-9-14)10-18(24)25-11-17(23)21-16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate?
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate has a molecular weight of 360.80 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8608586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).