2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate

C18H12ClNO5 — CID 1218329

IUPAC2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O
InChIInChI=1S/C18H12ClNO5/c1-10(21)9-25-18(24)11-6-7-12-13(8-11)17(23)20(16(12)22)15-5-3-2-4-14(15)19/h2-8H,9H2,1H3
InChIKeyHZIDCYDUHCLJAU-UHFFFAOYSA-N
MW357.75 g/mol
LogP2.89
Rot. Bonds4

About 2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate

2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate (PubChem CID 1218329) has the molecular formula C18H12ClNO5 and a molecular weight of 357.75 g/mol. Its IUPAC name is 2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Name2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
PubChem CID1218329
Molecular FormulaC18H12ClNO5
Molecular Weight357.75 g/mol
Exact Mass357.04
IUPAC Name2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O
InChIInChI=1S/C18H12ClNO5/c1-10(21)9-25-18(24)11-6-7-12-13(8-11)17(23)20(16(12)22)15-5-3-2-4-14(15)19/h2-8H,9H2,1H3
InChIKeyHZIDCYDUHCLJAU-UHFFFAOYSA-N
XLogP2.89
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxopropyl 2-(2-ethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1218330
methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2336595
2-ethoxyethyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 24518426
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2619857
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2437348
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1188306
[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 24593355
(4-methoxyphenyl)methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 16577462
(2-fluorophenyl)methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 7637726
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 16507286
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2477550
phenacyl 2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1159373

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of 2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate (CID 1218329) is 2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for 2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for 2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate is CC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O.
What is the InChIKey of 2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is HZIDCYDUHCLJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO5/c1-10(21)9-25-18(24)11-6-7-12-13(8-11)17(23)20(16(12)22)15-5-3-2-4-14(15)19/h2-8H,9H2,1H3.
What are the key properties of 2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate?
2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 357.75 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 1218329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).