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

C15H11BrClN3O2 — CID 4668283

IUPACN'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
SMILESO=C(NN=Cc1ccccc1Br)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H11BrClN3O2/c16-11-6-2-1-5-10(11)9-18-20-15(22)14(21)19-13-8-4-3-7-12(13)17/h1-9H,(H,19,21)(H,20,22)
InChIKeyYKOBAPMYKOMBFN-UHFFFAOYSA-N
MW380.63 g/mol
LogP3.19
Rot. Bonds3

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

N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide (PubChem CID 4668283) has the molecular formula C15H11BrClN3O2 and a molecular weight of 380.63 g/mol. Its IUPAC name is N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
PubChem CID4668283
Molecular FormulaC15H11BrClN3O2
Molecular Weight380.63 g/mol
Exact Mass378.97
IUPAC NameN'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
SMILESO=C(NN=Cc1ccccc1Br)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H11BrClN3O2/c16-11-6-2-1-5-10(11)9-18-20-15(22)14(21)19-13-8-4-3-7-12(13)17/h1-9H,(H,19,21)(H,20,22)
InChIKeyYKOBAPMYKOMBFN-UHFFFAOYSA-N
XLogP3.19
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 53.19
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'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 4147303
N-(2-bromophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxamide
CID 94847083
N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
CID 3506666
N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136739203
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 45054503
2-[(Z)-[[2-(2-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 7323591
[4-bromo-2-[[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4638286
N-(2-chlorophenyl)-N'-[(E)-(3-chlorophenyl)methylideneamino]oxamide
CID 6871246
N-(2-bromophenyl)-N'-[(Z)-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
CID 94836922
N-(2-chlorophenyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 46741746
[2-[(E)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 19661185
N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide
CID 3336586

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide?
The IUPAC name of N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide (CID 4668283) is N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide.
What is the SMILES notation for N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide?
The canonical SMILES for N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide is O=C(NN=Cc1ccccc1Br)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide?
The InChIKey is YKOBAPMYKOMBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O2/c16-11-6-2-1-5-10(11)9-18-20-15(22)14(21)19-13-8-4-3-7-12(13)17/h1-9H,(H,19,21)(H,20,22).
What are the key properties of N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide?
N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide has a molecular weight of 380.63 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide is sourced from PubChem (CID 4668283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).