N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide

C16H14BrN3O2 — CID 6273720

IUPACN-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
SMILESCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C16H14BrN3O2/c1-11-6-8-12(9-7-11)10-18-20-16(22)15(21)19-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10-
InChIKeyMLCWZGCTCDZJJX-ZDLGFXPLSA-N
MW360.21 g/mol
LogP2.85
Rot. Bonds3

About N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide

N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide (PubChem CID 6273720) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
PubChem CID6273720
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC NameN-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
SMILESCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C16H14BrN3O2/c1-11-6-8-12(9-7-11)10-18-20-16(22)15(21)19-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10-
InChIKeyMLCWZGCTCDZJJX-ZDLGFXPLSA-N
XLogP2.85
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide 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

N-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 94847089
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 45054503
N-(2-bromophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide
CID 94847083
N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334344
N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 5348423
N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 3500417
2-[(Z)-[[2-(2-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 7323591
N-(2-bromophenyl)-N'-[(Z)-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 6072071
N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 94847093
N'-(benzylideneamino)-N-(2-bromophenyl)propanediamide
CID 3998182
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
4-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3825243

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide (CID 6273720) is N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide is Cc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide?
The InChIKey is MLCWZGCTCDZJJX-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-11-6-8-12(9-7-11)10-18-20-16(22)15(21)19-14-5-3-2-4-13(14)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10-.
What are the key properties of N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide?
N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide has a molecular weight of 360.21 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6273720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).