N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide

C15H12BrIN2O2 — CID 4924985

IUPACN'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1I
InChIInChI=1S/C15H12BrIN2O2/c1-9-6-7-10(8-13(9)17)14(20)18-19-15(21)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyYKZGRGPCNXYRAH-UHFFFAOYSA-N
MW459.08 g/mol
LogP3.44
Rot. Bonds2

About N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide

N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide (PubChem CID 4924985) has the molecular formula C15H12BrIN2O2 and a molecular weight of 459.08 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide
PubChem CID4924985
Molecular FormulaC15H12BrIN2O2
Molecular Weight459.08 g/mol
Exact Mass457.91
IUPAC NameN'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1I
InChIInChI=1S/C15H12BrIN2O2/c1-9-6-7-10(8-13(9)17)14(20)18-19-15(21)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyYKZGRGPCNXYRAH-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.08
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide
CID 920964
2-bromo-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 5087657
N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide
CID 2439814
3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide
CID 3399843
2-bromo-N-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 55358458
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980
3-iodo-4-methylbenzohydrazide
CID 59732500
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide
CID 3412402
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17149351

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide (CID 4924985) is N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1I.
What is the InChIKey of N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide?
The InChIKey is YKZGRGPCNXYRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrIN2O2/c1-9-6-7-10(8-13(9)17)14(20)18-19-15(21)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide?
N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide has a molecular weight of 459.08 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide is sourced from PubChem (CID 4924985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).