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

C24H19BrCl3N3O3 — CID 3954725

IUPACN'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1cccc(Cl)c1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19BrCl3N3O3/c25-17-5-7-22(34-14-15-4-6-19(27)12-21(15)28)16(10-17)13-29-31-24(33)9-8-23(32)30-20-3-1-2-18(26)11-20/h1-7,10-13H,8-9,14H2,(H,30,32)(H,31,33)
InChIKeyCNXFRTIHDXOYCY-UHFFFAOYSA-N
MW583.70 g/mol
LogP6.86
Rot. Bonds9

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

N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide (PubChem CID 3954725) has the molecular formula C24H19BrCl3N3O3 and a molecular weight of 583.70 g/mol. Its IUPAC name is N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide.

Molecular Properties

Compound NameN'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide
PubChem CID3954725
Molecular FormulaC24H19BrCl3N3O3
Molecular Weight583.70 g/mol
Exact Mass580.97
IUPAC NameN'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1cccc(Cl)c1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19BrCl3N3O3/c25-17-5-7-22(34-14-15-4-6-19(27)12-21(15)28)16(10-17)13-29-31-24(33)9-8-23(32)30-20-3-1-2-18(26)11-20/h1-7,10-13H,8-9,14H2,(H,30,32)(H,31,33)
InChIKeyCNXFRTIHDXOYCY-UHFFFAOYSA-N
XLogP6.86
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.70
LogP ≤ 56.86
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'}

Analyze N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide
CID 5177833
N'-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chloro-4-methylphenyl)butanediamide
CID 5133389
N'-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 3912997
[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533091
N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 5025171
2-(4-bromoanilino)-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126349752
N'-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3984662
1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
CID 110533512
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 135555046
N'-[(3-bromo-4-butoxyphenyl)methylideneamino]-N-(3-chlorophenyl)butanediamide
CID 3901607
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
N'-[(Z)-[5-bromo-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
CID 126157709

Frequently Asked Questions

What is the IUPAC name of N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide?
The IUPAC name of N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide (CID 3954725) is N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide.
What is the SMILES notation for N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide?
The canonical SMILES for N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide is O=C(CCC(=O)Nc1cccc(Cl)c1)NN=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide?
The InChIKey is CNXFRTIHDXOYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrCl3N3O3/c25-17-5-7-22(34-14-15-4-6-19(27)12-21(15)28)16(10-17)13-29-31-24(33)9-8-23(32)30-20-3-1-2-18(26)11-20/h1-7,10-13H,8-9,14H2,(H,30,32)(H,31,33).
What are the key properties of N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide?
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide has a molecular weight of 583.70 g/mol, XLogP of 6.86, 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-(3-chlorophenyl)butanediamide is sourced from PubChem (CID 3954725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).