N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide

C18H17Cl2N3O3 — CID 5230712

IUPACN-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccccc1C=NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O3/c1-26-16-5-3-2-4-12(16)11-21-23-18(25)9-8-17(24)22-15-7-6-13(19)10-14(15)20/h2-7,10-11H,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyZHVMXQQOGTZEIR-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.87
Rot. Bonds7

About N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide

N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide (PubChem CID 5230712) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
PubChem CID5230712
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC NameN-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
SMILESCOc1ccccc1C=NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O3/c1-26-16-5-3-2-4-12(16)11-21-23-18(25)9-8-17(24)22-15-7-6-13(19)10-14(15)20/h2-7,10-11H,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyZHVMXQQOGTZEIR-UHFFFAOYSA-N
XLogP3.87
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.87
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-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]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-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 3921496
N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide
CID 5003294
N-(2,4-dichlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 135560328
N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 4023878
N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 5025171
N-(3,4-dimethylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 4659144
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]oxamide
CID 6058233
N-(4-chloro-2-methylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4284877
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3589426
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3962833
N-(2,4-dichlorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide
CID 6875689

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide (CID 5230712) is N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide is COc1ccccc1C=NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide?
The InChIKey is ZHVMXQQOGTZEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c1-26-16-5-3-2-4-12(16)11-21-23-18(25)9-8-17(24)22-15-7-6-13(19)10-14(15)20/h2-7,10-11H,8-9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide?
N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide has a molecular weight of 394.26 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 5230712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).