N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide

C23H18BrCl2N3O3 — CID 4191535

IUPACN-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCc1cc(Br)ccc1NC(=O)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H18BrCl2N3O3/c1-14-9-17(24)6-8-21(14)28-22(30)23(31)29-27-12-15-3-2-4-19(10-15)32-13-16-5-7-18(25)11-20(16)26/h2-12H,13H2,1H3,(H,28,30)(H,29,31)
InChIKeyAURYZPYKEJVPII-UHFFFAOYSA-N
MW535.23 g/mol
LogP5.73
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide

N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 4191535) has the molecular formula C23H18BrCl2N3O3 and a molecular weight of 535.23 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID4191535
Molecular FormulaC23H18BrCl2N3O3
Molecular Weight535.23 g/mol
Exact Mass532.99
IUPAC NameN-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCc1cc(Br)ccc1NC(=O)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H18BrCl2N3O3/c1-14-9-17(24)6-8-21(14)28-22(30)23(31)29-27-12-15-3-2-4-19(10-15)32-13-16-5-7-18(25)11-20(16)26/h2-12H,13H2,1H3,(H,28,30)(H,29,31)
InChIKeyAURYZPYKEJVPII-UHFFFAOYSA-N
XLogP5.73
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.23
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-bromo-2-methylphenyl)-N'-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19660637
N-(4-bromo-2-methylphenyl)-N'-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19660735
N'-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 19659884
N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19658779
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 126013831
N-(4-bromo-2-fluorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 3345928
[3-[(E)-[[2-(4-bromo-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 19659584
N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 19660101
N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19658498
N-(3-chloro-2-methylphenyl)-N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4608595
N'-[(Z)-[3-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126182314
N-(3-chlorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4578191

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide (CID 4191535) is N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide is Cc1cc(Br)ccc1NC(=O)C(=O)NN=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is AURYZPYKEJVPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrCl2N3O3/c1-14-9-17(24)6-8-21(14)28-22(30)23(31)29-27-12-15-3-2-4-19(10-15)32-13-16-5-7-18(25)11-20(16)26/h2-12H,13H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide?
N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide has a molecular weight of 535.23 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 4191535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).