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

C16H14BrN3O2 — CID 45054503

IUPACN'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Br)cc1
InChIInChI=1S/C16H14BrN3O2/c1-11-6-8-13(9-7-11)19-15(21)16(22)20-18-10-12-4-2-3-5-14(12)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyCHMACPJYQHROPB-VCHYOVAHSA-N
MW360.21 g/mol
LogP2.85
Rot. Bonds3

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

N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 45054503) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID45054503
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC NameN'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Br)cc1
InChIInChI=1S/C16H14BrN3O2/c1-11-6-8-13(9-7-11)19-15(21)16(22)20-18-10-12-4-2-3-5-14(12)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyCHMACPJYQHROPB-VCHYOVAHSA-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'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)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-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
CID 3506666
N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide
CID 3672050
N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 4147303
N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6273720
N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
CID 4668283
1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
CID 5415699
N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 3863592
[2-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 4061635
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159508
N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9155868
N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027531
N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
CID 9156025

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide (CID 45054503) is N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Br)cc1.
What is the InChIKey of N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is CHMACPJYQHROPB-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-11-6-8-13(9-7-11)19-15(21)16(22)20-18-10-12-4-2-3-5-14(12)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+.
What are the key properties of N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)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'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 45054503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).