2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide

C15H12Br2N2O2 — CID 19167014

IUPAC2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C15H12Br2N2O2/c1-9-4-2-3-5-11(9)14(20)18-19-15(21)12-7-6-10(16)8-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyGJSWYZSZHCFYMS-UHFFFAOYSA-N
MW412.08 g/mol
LogP3.59
Rot. Bonds2

About 2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide

2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide (PubChem CID 19167014) has the molecular formula C15H12Br2N2O2 and a molecular weight of 412.08 g/mol. Its IUPAC name is 2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide
PubChem CID19167014
Molecular FormulaC15H12Br2N2O2
Molecular Weight412.08 g/mol
Exact Mass409.93
IUPAC Name2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C15H12Br2N2O2/c1-9-4-2-3-5-11(9)14(20)18-19-15(21)12-7-6-10(16)8-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyGJSWYZSZHCFYMS-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.08
LogP ≤ 53.59
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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Related Compounds

[(2,4-dibromobenzoyl)amino]thiourea
CID 107941941
3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide
CID 920964
N-(2,5-dibromophenyl)-2-methylbenzamide
CID 47167937
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
5-bromo-N'-(2-methylbenzoyl)-2-propoxybenzohydrazide
CID 17351741
2,4-dibromo-N-methylbenzamide
CID 54214948
3,5-dichloro-N'-(2-methylbenzoyl)benzohydrazide
CID 17133584
N-(2-amino-6-methylphenyl)-2,4-dibromobenzamide
CID 107937350
(2,5-dibromophenyl)-(2-methylphenyl)methanone
CID 114962947
2-(4-bromo-2-methylphenoxy)-N-[[(2-methylbenzoyl)amino]carbamothioyl]acetamide
CID 3486933
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide?
The IUPAC name of 2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide (CID 19167014) is 2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide.
What is the SMILES notation for 2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide?
The canonical SMILES for 2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide is Cc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide?
The InChIKey is GJSWYZSZHCFYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O2/c1-9-4-2-3-5-11(9)14(20)18-19-15(21)12-7-6-10(16)8-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide?
2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide has a molecular weight of 412.08 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 19167014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).