N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide

C15H10BrCl2N3O2 — CID 4147303

IUPACN'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
SMILESO=C(NN=Cc1ccccc1Br)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10BrCl2N3O2/c16-11-4-2-1-3-9(11)8-19-21-15(23)14(22)20-10-5-6-12(17)13(18)7-10/h1-8H,(H,20,22)(H,21,23)
InChIKeyCEJWYCCGMLSSRL-UHFFFAOYSA-N
MW415.07 g/mol
LogP3.84
Rot. Bonds3

About N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide

N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide (PubChem CID 4147303) has the molecular formula C15H10BrCl2N3O2 and a molecular weight of 415.07 g/mol. Its IUPAC name is N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
PubChem CID4147303
Molecular FormulaC15H10BrCl2N3O2
Molecular Weight415.07 g/mol
Exact Mass412.93
IUPAC NameN'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
SMILESO=C(NN=Cc1ccccc1Br)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10BrCl2N3O2/c16-11-4-2-1-3-9(11)8-19-21-15(23)14(22)20-10-5-6-12(17)13(18)7-10/h1-8H,(H,20,22)(H,21,23)
InChIKeyCEJWYCCGMLSSRL-UHFFFAOYSA-N
XLogP3.84
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.07
LogP ≤ 53.84
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-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 6243667
N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
CID 3506666
N'-[(2-bromophenyl)methylideneamino]-N-(2-chlorophenyl)oxamide
CID 4668283
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 45054503
N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 45054809
[4-[[[2-(3,4-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3480577
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136909047
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 3470850
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705
N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126156631
N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136863890
N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide
CID 19659942

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide?
The IUPAC name of N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide (CID 4147303) is N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide.
What is the SMILES notation for N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide?
The canonical SMILES for N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide is O=C(NN=Cc1ccccc1Br)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide?
The InChIKey is CEJWYCCGMLSSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3O2/c16-11-4-2-1-3-9(11)8-19-21-15(23)14(22)20-10-5-6-12(17)13(18)7-10/h1-8H,(H,20,22)(H,21,23).
What are the key properties of N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide?
N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide has a molecular weight of 415.07 g/mol, XLogP of 3.84, 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-(3,4-dichlorophenyl)oxamide is sourced from PubChem (CID 4147303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).