1-(4-chlorobenzoyl)indole-2,3-dione

C15H8ClNO3 — CID 13040311

IUPAC1-(4-chlorobenzoyl)indole-2,3-dione
SMILESO=C1C(=O)N(C(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H8ClNO3/c16-10-7-5-9(6-8-10)14(19)17-12-4-2-1-3-11(12)13(18)15(17)20/h1-8H
InChIKeySZNIRFZMLYAHKG-UHFFFAOYSA-N
MW285.69 g/mol
LogP2.71
Rot. Bonds1

About 1-(4-chlorobenzoyl)indole-2,3-dione

1-(4-chlorobenzoyl)indole-2,3-dione (PubChem CID 13040311) has the molecular formula C15H8ClNO3 and a molecular weight of 285.69 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)indole-2,3-dione
PubChem CID13040311
Molecular FormulaC15H8ClNO3
Molecular Weight285.69 g/mol
Exact Mass285.02
IUPAC Name1-(4-chlorobenzoyl)indole-2,3-dione
SMILESO=C1C(=O)N(C(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H8ClNO3/c16-10-7-5-9(6-8-10)14(19)17-12-4-2-1-3-11(12)13(18)15(17)20/h1-8H
InChIKeySZNIRFZMLYAHKG-UHFFFAOYSA-N
XLogP2.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide
CID 3120454
(2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate
CID 86623508
[4-(7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carbonyl)phenyl]-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)methanone
CID 70257091
1-(2-nitrobenzoyl)indole-2,3-dione
CID 10017434
(2E)-2-[1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one
CID 139422594
2,3-dioxo-N-phenylindole-1-carboxamide
CID 3582125
(2E)-2-[1-(1-methylpyridin-1-ium-4-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-4-carbonyl)indol-3-one iodide
CID 162310457
(3E)-1-acetyl-3-[(4-chlorophenyl)methylidene]indol-2-one
CID 135073524
2-(4-fluorobenzoyl)isoindole-1,3-dione
CID 3643646
[(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate
CID 5456970
(4-chlorophenyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77033396
(4-chlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
CID 110738192

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)indole-2,3-dione?
The IUPAC name of 1-(4-chlorobenzoyl)indole-2,3-dione (CID 13040311) is 1-(4-chlorobenzoyl)indole-2,3-dione.
What is the SMILES notation for 1-(4-chlorobenzoyl)indole-2,3-dione?
The canonical SMILES for 1-(4-chlorobenzoyl)indole-2,3-dione is O=C1C(=O)N(C(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 1-(4-chlorobenzoyl)indole-2,3-dione?
The InChIKey is SZNIRFZMLYAHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClNO3/c16-10-7-5-9(6-8-10)14(19)17-12-4-2-1-3-11(12)13(18)15(17)20/h1-8H.
What are the key properties of 1-(4-chlorobenzoyl)indole-2,3-dione?
1-(4-chlorobenzoyl)indole-2,3-dione has a molecular weight of 285.69 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)indole-2,3-dione is sourced from PubChem (CID 13040311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).