N'-(3-bromobenzoyl)-2-methylbenzohydrazide

C15H13BrN2O2 — CID 708032

IUPACN'-(3-bromobenzoyl)-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O2/c1-10-5-2-3-8-13(10)15(20)18-17-14(19)11-6-4-7-12(16)9-11/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyKLQBXBKEDALBPS-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.83
Rot. Bonds2

About N'-(3-bromobenzoyl)-2-methylbenzohydrazide

N'-(3-bromobenzoyl)-2-methylbenzohydrazide (PubChem CID 708032) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is N'-(3-bromobenzoyl)-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(3-bromobenzoyl)-2-methylbenzohydrazide
PubChem CID708032
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC NameN'-(3-bromobenzoyl)-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H13BrN2O2/c1-10-5-2-3-8-13(10)15(20)18-17-14(19)11-6-4-7-12(16)9-11/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyKLQBXBKEDALBPS-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 N'-(3-bromobenzoyl)-2-methylbenzohydrazide?
The IUPAC name of N'-(3-bromobenzoyl)-2-methylbenzohydrazide (CID 708032) is N'-(3-bromobenzoyl)-2-methylbenzohydrazide.
What is the SMILES notation for N'-(3-bromobenzoyl)-2-methylbenzohydrazide?
The canonical SMILES for N'-(3-bromobenzoyl)-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNC(=O)c1cccc(Br)c1.
What is the InChIKey of N'-(3-bromobenzoyl)-2-methylbenzohydrazide?
The InChIKey is KLQBXBKEDALBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-10-5-2-3-8-13(10)15(20)18-17-14(19)11-6-4-7-12(16)9-11/h2-9H,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(3-bromobenzoyl)-2-methylbenzohydrazide?
N'-(3-bromobenzoyl)-2-methylbenzohydrazide 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 N'-(3-bromobenzoyl)-2-methylbenzohydrazide is sourced from PubChem (CID 708032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).