5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione

C16H12ClNO2 — CID 137446567

IUPAC5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione
SMILESCCc1cccc(N2C(=O)c3ccc(Cl)cc3C2=O)c1
InChIInChI=1S/C16H12ClNO2/c1-2-10-4-3-5-12(8-10)18-15(19)13-7-6-11(17)9-14(13)16(18)20/h3-9H,2H2,1H3
InChIKeyUCDDNYZNFZBIQI-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.70
Rot. Bonds2

About 5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione

5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione (PubChem CID 137446567) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione
PubChem CID137446567
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione
SMILESCCc1cccc(N2C(=O)c3ccc(Cl)cc3C2=O)c1
InChIInChI=1S/C16H12ClNO2/c1-2-10-4-3-5-12(8-10)18-15(19)13-7-6-11(17)9-14(13)16(18)20/h3-9H,2H2,1H3
InChIKeyUCDDNYZNFZBIQI-UHFFFAOYSA-N
XLogP3.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2,6-diethylphenyl)isoindole-1,3-dione
CID 13245428
2-(3-bromo-4-methylphenyl)-5-chloroisoindole-1,3-dione
CID 1219486
2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 61207714
5-chloro-2-(4-heptylphenyl)isoindole-1,3-dione
CID 59549842
5-chloro-2-[4-(4-octylphenyl)phenyl]isoindole-1,3-dione
CID 46494812
5-chloro-2-(2,6-dichloro-4-pyridinyl)isoindole-1,3-dione
CID 3623386
(3-chlorophenyl)methyl 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 18276790
2-[3-[(3-methylphenyl)methyl]phenyl]isoindole-1,3-dione
CID 164982744
4-chloro-2-[[2-[3-(hydroxymethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 46866790
[2-(4-chlorophenyl)-2-oxoethyl] 2-[3-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylphenyl]-1,3-dioxoisoindole-5-carboxylate
CID 126188950
1-(3-chlorophenyl)-3-(4-chlorophenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110570882
2-[3-[(2-chlorophenoxy)methyl]phenyl]isoindole-1,3-dione
CID 168518591

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione (CID 137446567) is 5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione is CCc1cccc(N2C(=O)c3ccc(Cl)cc3C2=O)c1.
What is the InChIKey of 5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione?
The InChIKey is UCDDNYZNFZBIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-2-10-4-3-5-12(8-10)18-15(19)13-7-6-11(17)9-14(13)16(18)20/h3-9H,2H2,1H3.
What are the key properties of 5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione?
5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione has a molecular weight of 285.73 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 137446567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).