3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide

C16H15BrN2O2 — CID 920964

IUPAC3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2C)cc1Br
InChIInChI=1S/C16H15BrN2O2/c1-10-5-3-4-6-13(10)16(21)19-18-15(20)12-8-7-11(2)14(17)9-12/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyKVSRTGSVMYRPKL-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.14
Rot. Bonds2

About 3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide

3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide (PubChem CID 920964) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide
PubChem CID920964
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2C)cc1Br
InChIInChI=1S/C16H15BrN2O2/c1-10-5-3-4-6-13(10)16(21)19-18-15(20)12-8-7-11(2)14(17)9-12/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyKVSRTGSVMYRPKL-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.14
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

1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide
CID 4931652
N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide
CID 4924985
2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide
CID 19167014
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide
CID 4509106
N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
CID 920970
3,5-dichloro-N'-(2-methylbenzoyl)benzohydrazide
CID 17133584
N-[4-[[(3-bromo-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17355494
N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045993
N'-(3-bromo-4-methylbenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4509539
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide?
The IUPAC name of 3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide (CID 920964) is 3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide.
What is the SMILES notation for 3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide?
The canonical SMILES for 3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccccc2C)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide?
The InChIKey is KVSRTGSVMYRPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-10-5-3-4-6-13(10)16(21)19-18-15(20)12-8-7-11(2)14(17)9-12/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide?
3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide has a molecular weight of 347.21 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 920964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).