2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate

C19H15ClN2O5 — CID 4782861

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H15ClN2O5/c20-13-7-5-12(6-8-13)17(24)21-11-16(23)27-10-9-22-18(25)14-3-1-2-4-15(14)19(22)26/h1-8H,9-11H2,(H,21,24)
InChIKeyPOXUWTYOIODDIR-UHFFFAOYSA-N
MW386.79 g/mol
LogP1.91
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate

2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 4782861) has the molecular formula C19H15ClN2O5 and a molecular weight of 386.79 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID4782861
Molecular FormulaC19H15ClN2O5
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H15ClN2O5/c20-13-7-5-12(6-8-13)17(24)21-11-16(23)27-10-9-22-18(25)14-3-1-2-4-15(14)19(22)26/h1-8H,9-11H2,(H,21,24)
InChIKeyPOXUWTYOIODDIR-UHFFFAOYSA-N
XLogP1.91
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2097228
N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3990198
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4344657
2-(1,3-dioxoisoindol-2-yl)ethyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 7959031
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2435045
N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 3579153
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(4-tert-butylbenzoyl)amino]acetate
CID 3716943
(1,3-Dioxoisoindol-2-yl)methyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 7998412
[2-[2-(4-Chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 16292251
2-[4-[(4-Chlorophenyl)methyl-methylamino]butyl]isoindole-1,3-dione
CID 18151770
N-[(4-chlorophenyl)methyl]-3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindole-4-carboxamide
CID 20855312
2-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione
CID 90655822

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate (CID 4782861) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Cl)cc1)OCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is POXUWTYOIODDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O5/c20-13-7-5-12(6-8-13)17(24)21-11-16(23)27-10-9-22-18(25)14-3-1-2-4-15(14)19(22)26/h1-8H,9-11H2,(H,21,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 386.79 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 4782861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).