1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide

C24H20Br2N4O4 — CID 3274515

IUPAC1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(C)c(Br)c3)cc2)cc1Br
InChIInChI=1S/C24H20Br2N4O4/c1-13-3-5-17(11-19(13)25)23(33)29-27-21(31)15-7-9-16(10-8-15)22(32)28-30-24(34)18-6-4-14(2)20(26)12-18/h3-12H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)
InChIKeyPHMLJFTVOOCYFX-UHFFFAOYSA-N
MW588.26 g/mol
LogP3.98
Rot. Bonds4

About 1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide

1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide (PubChem CID 3274515) has the molecular formula C24H20Br2N4O4 and a molecular weight of 588.26 g/mol. Its IUPAC name is 1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide.

Molecular Properties

Compound Name1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
PubChem CID3274515
Molecular FormulaC24H20Br2N4O4
Molecular Weight588.26 g/mol
Exact Mass585.99
IUPAC Name1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(C)c(Br)c3)cc2)cc1Br
InChIInChI=1S/C24H20Br2N4O4/c1-13-3-5-17(11-19(13)25)23(33)29-27-21(31)15-7-9-16(10-8-15)22(32)28-30-24(34)18-6-4-14(2)20(26)12-18/h3-12H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)
InChIKeyPHMLJFTVOOCYFX-UHFFFAOYSA-N
XLogP3.98
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.26
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide
CID 4509106
3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide
CID 920964
N'-(3-bromo-4-methylbenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4509539
N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
CID 920970
N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4509550
3-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-methylbenzamide
CID 3341944
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3-bromo-4-methyl-N-methylsulfonylbenzamide
CID 123841069
N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3-bromo-4-methylbenzamide
CID 4510996
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936804
N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 1013445
trans-(1S,2S)-2-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 6959180

Frequently Asked Questions

What is the IUPAC name of 1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide?
The IUPAC name of 1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide (CID 3274515) is 1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide.
What is the SMILES notation for 1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide?
The canonical SMILES for 1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(C(=O)NNC(=O)c3ccc(C)c(Br)c3)cc2)cc1Br.
What is the InChIKey of 1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide?
The InChIKey is PHMLJFTVOOCYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Br2N4O4/c1-13-3-5-17(11-19(13)25)23(33)29-27-21(31)15-7-9-16(10-8-15)22(32)28-30-24(34)18-6-4-14(2)20(26)12-18/h3-12H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34).
What are the key properties of 1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide?
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide has a molecular weight of 588.26 g/mol, XLogP of 3.98, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide is sourced from PubChem (CID 3274515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).