5-chloro-1-(2-phenylethyl)indole-2,3-dione

C16H12ClNO2 — CID 2930041

IUPAC5-chloro-1-(2-phenylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C16H12ClNO2/c17-12-6-7-14-13(10-12)15(19)16(20)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyLCVZSSKWPJEOMX-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.11
Rot. Bonds3

About 5-chloro-1-(2-phenylethyl)indole-2,3-dione

5-chloro-1-(2-phenylethyl)indole-2,3-dione (PubChem CID 2930041) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-chloro-1-(2-phenylethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-(2-phenylethyl)indole-2,3-dione
PubChem CID2930041
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name5-chloro-1-(2-phenylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C16H12ClNO2/c17-12-6-7-14-13(10-12)15(19)16(20)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyLCVZSSKWPJEOMX-UHFFFAOYSA-N
XLogP3.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Phenylisatin
CID 12884
1-Methylisatin
CID 16358
1-(4-Chlorobenzyl)-1H-indole-2,3-dione
CID 277990
1-Benzylisatin
CID 264734
1-hexadecyl-1H-indole-2,3-dione
CID 3772674
5-chloro-1H-indole-2,3-dione
CID 87203
Phthalimide, N-(p-chlorophenyl)-
CID 81867
7-Chloroisatin
CID 344135
1-Phenethylindoline-2,3-dione
CID 1894707
1-Dodecylindoline-2,3-dione
CID 1897797
1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione
CID 1901244
1-(2-bromoethyl)-1H-indole-2,3-dione
CID 3542734

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-phenylethyl)indole-2,3-dione?
The IUPAC name of 5-chloro-1-(2-phenylethyl)indole-2,3-dione (CID 2930041) is 5-chloro-1-(2-phenylethyl)indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-(2-phenylethyl)indole-2,3-dione?
The canonical SMILES for 5-chloro-1-(2-phenylethyl)indole-2,3-dione is O=C1C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-1-(2-phenylethyl)indole-2,3-dione?
The InChIKey is LCVZSSKWPJEOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-12-6-7-14-13(10-12)15(19)16(20)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2.
What are the key properties of 5-chloro-1-(2-phenylethyl)indole-2,3-dione?
5-chloro-1-(2-phenylethyl)indole-2,3-dione has a molecular weight of 285.73 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-phenylethyl)indole-2,3-dione is sourced from PubChem (CID 2930041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).