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

C16H14BrN3O2 — CID 3672050

IUPACN-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide
SMILESCc1ccccc1C=NNC(=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O2/c1-11-4-2-3-5-12(11)10-18-20-16(22)15(21)19-14-8-6-13(17)7-9-14/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyHABOYNLQWBRSFJ-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.85
Rot. Bonds3

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

N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide (PubChem CID 3672050) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide
PubChem CID3672050
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC NameN-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide
SMILESCc1ccccc1C=NNC(=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O2/c1-11-4-2-3-5-12(11)10-18-20-16(22)15(21)19-14-8-6-13(17)7-9-14/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyHABOYNLQWBRSFJ-UHFFFAOYSA-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'}

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Related Compounds

N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
CID 3506666
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 45054503
N-(4-bromophenyl)-N'-[[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]oxamide
CID 3734442
N-(2-fluorophenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898803
N-(2-ethylphenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898860
N-(4-bromophenyl)-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135554311
N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135606590
N-(4-acetamidophenyl)-N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 4578192
2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5417368
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136909047
1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
CID 135436225
4-benzamido-N-[(2-methylphenyl)methylideneamino]benzamide
CID 3285484

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide (CID 3672050) is N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide is Cc1ccccc1C=NNC(=O)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide?
The InChIKey is HABOYNLQWBRSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-11-4-2-3-5-12(11)10-18-20-16(22)15(21)19-14-8-6-13(17)7-9-14/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide?
N-(4-bromophenyl)-N'-[(2-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-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 3672050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).