N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide

C26H24BrCl2N3O3 — CID 5177833

IUPACN'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide
SMILESCc1cccc(NC(=O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C26H24BrCl2N3O3/c1-16-4-3-5-23(17(16)2)31-25(33)10-11-26(34)32-30-14-19-12-20(27)7-9-24(19)35-15-18-6-8-21(28)13-22(18)29/h3-9,12-14H,10-11,15H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyWBVNFHPMFNPTHB-UHFFFAOYSA-N
MW577.31 g/mol
LogP6.82
Rot. Bonds9

About N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide

N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide (PubChem CID 5177833) has the molecular formula C26H24BrCl2N3O3 and a molecular weight of 577.31 g/mol. Its IUPAC name is N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide
PubChem CID5177833
Molecular FormulaC26H24BrCl2N3O3
Molecular Weight577.31 g/mol
Exact Mass575.04
IUPAC NameN'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide
SMILESCc1cccc(NC(=O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C26H24BrCl2N3O3/c1-16-4-3-5-23(17(16)2)31-25(33)10-11-26(34)32-30-14-19-12-20(27)7-9-24(19)35-15-18-6-8-21(28)13-22(18)29/h3-9,12-14H,10-11,15H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyWBVNFHPMFNPTHB-UHFFFAOYSA-N
XLogP6.82
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.31
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide
CID 3954725
N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 5025171
N'-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chloro-4-methylphenyl)butanediamide
CID 5133389
[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533091
4-bromo-N-[(E)-[5-chloro-2-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126269494
N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide
CID 3428879
N'-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 4215625
N'-[(5-bromo-2-propoxyphenyl)methylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3284699
N'-[(5-bromo-2-butoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 3341360
N'-[(Z)-[5-bromo-2-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126168770
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126217471
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400

Frequently Asked Questions

What is the IUPAC name of N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide?
The IUPAC name of N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide (CID 5177833) is N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide.
What is the SMILES notation for N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide?
The canonical SMILES for N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide is Cc1cccc(NC(=O)CCC(=O)NN=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide?
The InChIKey is WBVNFHPMFNPTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrCl2N3O3/c1-16-4-3-5-23(17(16)2)31-25(33)10-11-26(34)32-30-14-19-12-20(27)7-9-24(19)35-15-18-6-8-21(28)13-22(18)29/h3-9,12-14H,10-11,15H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide?
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide has a molecular weight of 577.31 g/mol, XLogP of 6.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide is sourced from PubChem (CID 5177833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).