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

C15H11Br2N3O2 — CID 3506666

IUPACN-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccccc1Br)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11Br2N3O2/c16-11-5-7-12(8-6-11)19-14(21)15(22)20-18-9-10-3-1-2-4-13(10)17/h1-9H,(H,19,21)(H,20,22)
InChIKeyAXDODBUDVOTEFE-UHFFFAOYSA-N
MW425.08 g/mol
LogP3.30
Rot. Bonds3

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

N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide (PubChem CID 3506666) has the molecular formula C15H11Br2N3O2 and a molecular weight of 425.08 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
PubChem CID3506666
Molecular FormulaC15H11Br2N3O2
Molecular Weight425.08 g/mol
Exact Mass422.92
IUPAC NameN-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccccc1Br)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11Br2N3O2/c16-11-5-7-12(8-6-11)19-14(21)15(22)20-18-9-10-3-1-2-4-13(10)17/h1-9H,(H,19,21)(H,20,22)
InChIKeyAXDODBUDVOTEFE-UHFFFAOYSA-N
XLogP3.30
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.08
LogP ≤ 53.30
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'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 45054503
N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide
CID 3672050
N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 4147303
N-(4-bromophenyl)-N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135554311
N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
CID 4668283
1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
CID 5415699
1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
CID 135436225
N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 135685457
N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide
CID 6146387
N-(4-acetamidophenyl)-N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 4578192
N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135606590
N-(4-bromophenyl)-N'-[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 6014809

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide (CID 3506666) is N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide is O=C(NN=Cc1ccccc1Br)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide?
The InChIKey is AXDODBUDVOTEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3O2/c16-11-5-7-12(8-6-11)19-14(21)15(22)20-18-9-10-3-1-2-4-13(10)17/h1-9H,(H,19,21)(H,20,22).
What are the key properties of N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide?
N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide has a molecular weight of 425.08 g/mol, XLogP of 3.30, 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-bromophenyl)methylideneamino]oxamide is sourced from PubChem (CID 3506666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).