5-bromo-3-phenyl-1H-indole-2-carbohydrazide

C15H12BrN3O — CID 949916

IUPAC5-bromo-3-phenyl-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1
InChIInChI=1S/C15H12BrN3O/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(18-12)15(20)19-17/h1-8,18H,17H2,(H,19,20)
InChIKeyJOMNNJPPADTBDU-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.20
Rot. Bonds2

About 5-bromo-3-phenyl-1H-indole-2-carbohydrazide

5-bromo-3-phenyl-1H-indole-2-carbohydrazide (PubChem CID 949916) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 5-bromo-3-phenyl-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-3-phenyl-1H-indole-2-carbohydrazide
PubChem CID949916
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name5-bromo-3-phenyl-1H-indole-2-carbohydrazide
SMILESNNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1
InChIInChI=1S/C15H12BrN3O/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(18-12)15(20)19-17/h1-8,18H,17H2,(H,19,20)
InChIKeyJOMNNJPPADTBDU-UHFFFAOYSA-N
XLogP3.20
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-phenyl-1H-indole-2-carbohydrazide?
The IUPAC name of 5-bromo-3-phenyl-1H-indole-2-carbohydrazide (CID 949916) is 5-bromo-3-phenyl-1H-indole-2-carbohydrazide.
What is the SMILES notation for 5-bromo-3-phenyl-1H-indole-2-carbohydrazide?
The canonical SMILES for 5-bromo-3-phenyl-1H-indole-2-carbohydrazide is NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1.
What is the InChIKey of 5-bromo-3-phenyl-1H-indole-2-carbohydrazide?
The InChIKey is JOMNNJPPADTBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(18-12)15(20)19-17/h1-8,18H,17H2,(H,19,20).
What are the key properties of 5-bromo-3-phenyl-1H-indole-2-carbohydrazide?
5-bromo-3-phenyl-1H-indole-2-carbohydrazide has a molecular weight of 330.19 g/mol, XLogP of 3.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-phenyl-1H-indole-2-carbohydrazide is sourced from PubChem (CID 949916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).