5-bromo-1-phenyl-3H-indol-2-one

C14H10BrNO — CID 139061933

IUPAC5-bromo-1-phenyl-3H-indol-2-one
SMILESO=C1Cc2cc(Br)ccc2N1c1ccccc1
InChIInChI=1S/C14H10BrNO/c15-11-6-7-13-10(8-11)9-14(17)16(13)12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyNVJDUSVSJXOPCO-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.67
Rot. Bonds1

About 5-bromo-1-phenyl-3H-indol-2-one

5-bromo-1-phenyl-3H-indol-2-one (PubChem CID 139061933) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-1-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name5-bromo-1-phenyl-3H-indol-2-one
PubChem CID139061933
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name5-bromo-1-phenyl-3H-indol-2-one
SMILESO=C1Cc2cc(Br)ccc2N1c1ccccc1
InChIInChI=1S/C14H10BrNO/c15-11-6-7-13-10(8-11)9-14(17)16(13)12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyNVJDUSVSJXOPCO-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-1-phenyl-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-phenyl-3H-indol-2-one?
The IUPAC name of 5-bromo-1-phenyl-3H-indol-2-one (CID 139061933) is 5-bromo-1-phenyl-3H-indol-2-one.
What is the SMILES notation for 5-bromo-1-phenyl-3H-indol-2-one?
The canonical SMILES for 5-bromo-1-phenyl-3H-indol-2-one is O=C1Cc2cc(Br)ccc2N1c1ccccc1.
What is the InChIKey of 5-bromo-1-phenyl-3H-indol-2-one?
The InChIKey is NVJDUSVSJXOPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c15-11-6-7-13-10(8-11)9-14(17)16(13)12-4-2-1-3-5-12/h1-8H,9H2.
What are the key properties of 5-bromo-1-phenyl-3H-indol-2-one?
5-bromo-1-phenyl-3H-indol-2-one has a molecular weight of 288.14 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-phenyl-3H-indol-2-one is sourced from PubChem (CID 139061933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).