2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione

C19H13ClN2O4 — CID 3028978

IUPAC2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)CC(N3C(=O)c4ccccc4C3=O)C2=O)cc1Cl
InChIInChI=1S/C19H13ClN2O4/c1-10-6-7-11(8-14(10)20)21-16(23)9-15(19(21)26)22-17(24)12-4-2-3-5-13(12)18(22)25/h2-8,15H,9H2,1H3
InChIKeyXVJUKAJELIUULP-UHFFFAOYSA-N
MW368.78 g/mol
LogP2.58
Rot. Bonds2

About 2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione

2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione (PubChem CID 3028978) has the molecular formula C19H13ClN2O4 and a molecular weight of 368.78 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione
PubChem CID3028978
Molecular FormulaC19H13ClN2O4
Molecular Weight368.78 g/mol
Exact Mass368.06
IUPAC Name2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)CC(N3C(=O)c4ccccc4C3=O)C2=O)cc1Cl
InChIInChI=1S/C19H13ClN2O4/c1-10-6-7-11(8-14(10)20)21-16(23)9-15(19(21)26)22-17(24)12-4-2-3-5-13(12)18(22)25/h2-8,15H,9H2,1H3
InChIKeyXVJUKAJELIUULP-UHFFFAOYSA-N
XLogP2.58
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Mls002920154
CID 280591
N-(3-Chlorophenyl)-phthalimide
CID 504333
2-(3-Chloro-4-methylphenyl)isoindole-1,3-dione
CID 644566
2-Pyrrol4-[4-(2-chloro-phenyl)-piperazin-1-yl]-butylmorpho-isoindole-1,3-dione
CID 6425322
2-[4-[4-(3-Chlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 16085364
N-(3-Chloro-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 717489
2-(3-chloro-2-methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 780576
N'-acetyl-2-chloro-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2982831
3-{2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-ethyl}-2-methyl-2,3-dihydro-isoindol-1-one
CID 15888352
3-[6-[[3-(3-chloro-4-methylphenyl)-2-oxoimidazolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 145970850
Phthalimide, N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-
CID 610769
N-(3-Chloro-4-methylphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-2-phenylacetamide
CID 16020712

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione (CID 3028978) is 2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione is Cc1ccc(N2C(=O)CC(N3C(=O)c4ccccc4C3=O)C2=O)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione?
The InChIKey is XVJUKAJELIUULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O4/c1-10-6-7-11(8-14(10)20)21-16(23)9-15(19(21)26)22-17(24)12-4-2-3-5-13(12)18(22)25/h2-8,15H,9H2,1H3.
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione?
2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione has a molecular weight of 368.78 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 3028978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).