2-bromo-N'-phenylbenzohydrazide

C13H11BrN2O — CID 795493

IUPAC2-bromo-N'-phenylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1ccccc1Br
InChIInChI=1S/C13H11BrN2O/c14-12-9-5-4-8-11(12)13(17)16-15-10-6-2-1-3-7-10/h1-9,15H,(H,16,17)
InChIKeyPNRYFEFHOZEZPP-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.21
Rot. Bonds3

About 2-bromo-N'-phenylbenzohydrazide

2-bromo-N'-phenylbenzohydrazide (PubChem CID 795493) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 2-bromo-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-phenylbenzohydrazide
PubChem CID795493
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name2-bromo-N'-phenylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1ccccc1Br
InChIInChI=1S/C13H11BrN2O/c14-12-9-5-4-8-11(12)13(17)16-15-10-6-2-1-3-7-10/h1-9,15H,(H,16,17)
InChIKeyPNRYFEFHOZEZPP-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-phenylbenzohydrazide?
The IUPAC name of 2-bromo-N'-phenylbenzohydrazide (CID 795493) is 2-bromo-N'-phenylbenzohydrazide.
What is the SMILES notation for 2-bromo-N'-phenylbenzohydrazide?
The canonical SMILES for 2-bromo-N'-phenylbenzohydrazide is O=C(NNc1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N'-phenylbenzohydrazide?
The InChIKey is PNRYFEFHOZEZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-12-9-5-4-8-11(12)13(17)16-15-10-6-2-1-3-7-10/h1-9,15H,(H,16,17).
What are the key properties of 2-bromo-N'-phenylbenzohydrazide?
2-bromo-N'-phenylbenzohydrazide has a molecular weight of 291.15 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-phenylbenzohydrazide is sourced from PubChem (CID 795493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).