7-Benzoyl-2-oxindole

HCID 170983

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Basic information

CAS: 51135-38-7
Standard SMILES: O=C1Cc2cccc(C(=O)c3ccccc3)c2N1
InChIKey: APGQYYFHBPQPTL-UHFFFAOYSA-N
Molecular formula: C15H11NO2
Average molar mass: 237.25 g/mol
Monoisotopic mass: 237.07897859

Overview

structure given in first source

Names & identifiers

Preferred name: 7-Benzoyl-2-oxindole
IUPAC: 7-benzoyl-1,3-dihydroindol-2-one
English name: 7-Benzoyl-1,3-dihydro-indol-2-one
Molecular formula: C15H11NO2
Molecular weight: 237.25

Names & synonyms

51135-38-77-Benzoyl-2-oxindole7-Benzoyl-1,3-dihydro-2H-indol-2-one1RH7SVV8KQ2H-Indol-2-one, 7-benzoyl-1,3-dihydro-DTXSID80199163RefChem:545496DTXCID101216547-benzoylindolin-2-one7-Benzoyl-1,3-dihydro-indol-2-one7-Benzoyloxindole7-benzoyl-1,3-dihydroindol-2-one

Show more names

Nepafenac Related Compound BNepafenac Impurity 13Nepafenac EP Impurity-Dbromfenac sodiumImpurity d

MFCD07784039Amfenac Lactam7-Benzoylindolin-2-one (Amfenac Lactam)7-Benzoyl-2-indolinone7-Benzoyl-1,3-dihydro-2H-indol-2-one; 7-Benzoyl-1,3-dihydro-2H-indol-2-one; 7-Benzoyl-2-indolinone; 7-BenzoyloxindoleUNII-1RH7SVV8KQCHEMBL75312orb3174469

Database identifiers

CAS: 51135-38-7
PubChem CID: 170983
DTXSID: DTXSID80199163
ChEMBL: CHEMBL75312
UNII: 1RH7SVV8KQ
EC Number: 675-865-6
Nikkaji: J134.888D

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 346

Physicochemical properties

Melting point: 154 ℃ · 154℃
Boiling point: 501.7 · 501.7±50.0 °C(Predicted)
Density: 1.254 · 1.254±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly, Sonicated)
form: Solid
pka: 13.42 · 13.42±0.20(Predicted)
color: Pale Brown to Brown
Major Application: pharmaceutical (small molecules)
InChI: InChI=1S/C15H11NO2/c17-13-9-11-7-4-8-12(14(11)16-13)15(18)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
InChIKey: APGQYYFHBPQPTL-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2C(=O)C2=CC=CC=C2)CC1=O
FDA UNII: 1 RH7SVV8KQ · 1RH7SVV8KQ
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.