5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide

C18H16BrN3O3 — CID 118488872

IUPAC5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide
SMILESC=CCN1C(=O)C(NNC(=O)c2cc(Br)ccc2O)c2ccccc21
InChIInChI=1S/C18H16BrN3O3/c1-2-9-22-14-6-4-3-5-12(14)16(18(22)25)20-21-17(24)13-10-11(19)7-8-15(13)23/h2-8,10,16,20,23H,1,9H2,(H,21,24)
InChIKeyRQVOFUNRDGPURN-UHFFFAOYSA-N
MW402.25 g/mol
LogP2.66
Rot. Bonds5

About 5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide

5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide (PubChem CID 118488872) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide
PubChem CID118488872
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide
SMILESC=CCN1C(=O)C(NNC(=O)c2cc(Br)ccc2O)c2ccccc21
InChIInChI=1S/C18H16BrN3O3/c1-2-9-22-14-6-4-3-5-12(14)16(18(22)25)20-21-17(24)13-10-11(19)7-8-15(13)23/h2-8,10,16,20,23H,1,9H2,(H,21,24)
InChIKeyRQVOFUNRDGPURN-UHFFFAOYSA-N
XLogP2.66
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide 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-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide?
The IUPAC name of 5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide (CID 118488872) is 5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide.
What is the SMILES notation for 5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide?
The canonical SMILES for 5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide is C=CCN1C(=O)C(NNC(=O)c2cc(Br)ccc2O)c2ccccc21.
What is the InChIKey of 5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide?
The InChIKey is RQVOFUNRDGPURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-2-9-22-14-6-4-3-5-12(14)16(18(22)25)20-21-17(24)13-10-11(19)7-8-15(13)23/h2-8,10,16,20,23H,1,9H2,(H,21,24).
What are the key properties of 5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide?
5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide has a molecular weight of 402.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N'-(2-oxo-1-prop-2-enyl-3H-indol-3-yl)benzohydrazide is sourced from PubChem (CID 118488872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).