[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate

C17H12ClNO4 — CID 795273

IUPAC[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate
SMILESO=C(Oc1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1Cl
InChIInChI=1S/C17H12ClNO4/c18-14-4-2-1-3-13(14)17(22)23-12-7-5-11(6-8-12)19-15(20)9-10-16(19)21/h1-8H,9-10H2
InChIKeyMGQYSJIFRWWIJA-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.21
Rot. Bonds3

About [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate

[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate (PubChem CID 795273) has the molecular formula C17H12ClNO4 and a molecular weight of 329.74 g/mol. Its IUPAC name is [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate
PubChem CID795273
Molecular FormulaC17H12ClNO4
Molecular Weight329.74 g/mol
Exact Mass329.05
IUPAC Name[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate
SMILESO=C(Oc1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1Cl
InChIInChI=1S/C17H12ClNO4/c18-14-4-2-1-3-13(14)17(22)23-12-7-5-11(6-8-12)19-15(20)9-10-16(19)21/h1-8H,9-10H2
InChIKeyMGQYSJIFRWWIJA-UHFFFAOYSA-N
XLogP3.21
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate 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

Clanobutin
CID 35378
2-chloro-N-(4-methoxyphenyl)benzamide
CID 346660
4-(2,5-Dioxo-1-pyrrolidinyl)-3-methylphenyl 4-methylbenzoate
CID 972479
4-(2,5-Dioxopyrrolidin-1-yl)-3-methylphenyl 3-methoxybenzoate
CID 972962
4-(Acetylamino)phenyl 4-chlorobenzoate
CID 586902
Methyl 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 616398
4-(2,5-Dioxopyrrolidin-1-yl)phenyl 2-methoxybenzoate
CID 770963
Phenyl 3-(2,5-dioxo-1-pyrrolidinyl)benzoate
CID 873004
4-Chlorophenyl 4-[({4-[(4-methoxyphenyl)amino]-4-oxobutanoyl}oxy)methyl]benzoate
CID 1262854
2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-chlorobenzoate
CID 3578380
4-(2,5-Dioxopyrrolidin-1-yl)-3-methylphenyl 2-chlorobenzoate
CID 972551
4-(Acetylamino)phenyl (4-chlorophenyl)acetate
CID 4938737

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate?
The IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate (CID 795273) is [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate.
What is the SMILES notation for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate?
The canonical SMILES for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate is O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1Cl.
What is the InChIKey of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate?
The InChIKey is MGQYSJIFRWWIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO4/c18-14-4-2-1-3-13(14)17(22)23-12-7-5-11(6-8-12)19-15(20)9-10-16(19)21/h1-8H,9-10H2.
What are the key properties of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate?
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate has a molecular weight of 329.74 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-chlorobenzoate is sourced from PubChem (CID 795273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).