2-bromo-N'-(3-methylbenzoyl)benzohydrazide

C15H13BrN2O2 — CID 708039

IUPAC2-bromo-N'-(3-methylbenzoyl)benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H13BrN2O2/c1-10-5-4-6-11(9-10)14(19)17-18-15(20)12-7-2-3-8-13(12)16/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyHLHNORAOEVOGQY-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.83
Rot. Bonds2

About 2-bromo-N'-(3-methylbenzoyl)benzohydrazide

2-bromo-N'-(3-methylbenzoyl)benzohydrazide (PubChem CID 708039) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-bromo-N'-(3-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-(3-methylbenzoyl)benzohydrazide
PubChem CID708039
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name2-bromo-N'-(3-methylbenzoyl)benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H13BrN2O2/c1-10-5-4-6-11(9-10)14(19)17-18-15(20)12-7-2-3-8-13(12)16/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyHLHNORAOEVOGQY-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.83
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'-(3-methylbenzoyl)benzohydrazide?
The IUPAC name of 2-bromo-N'-(3-methylbenzoyl)benzohydrazide (CID 708039) is 2-bromo-N'-(3-methylbenzoyl)benzohydrazide.
What is the SMILES notation for 2-bromo-N'-(3-methylbenzoyl)benzohydrazide?
The canonical SMILES for 2-bromo-N'-(3-methylbenzoyl)benzohydrazide is Cc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N'-(3-methylbenzoyl)benzohydrazide?
The InChIKey is HLHNORAOEVOGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-10-5-4-6-11(9-10)14(19)17-18-15(20)12-7-2-3-8-13(12)16/h2-9H,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-bromo-N'-(3-methylbenzoyl)benzohydrazide?
2-bromo-N'-(3-methylbenzoyl)benzohydrazide has a molecular weight of 333.19 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-(3-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 708039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).