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

C24H20Cl3N3O3 — CID 5025171

IUPACN-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H20Cl3N3O3/c25-18-10-9-17(20(27)13-18)15-33-22-8-4-1-5-16(22)14-28-30-24(32)12-11-23(31)29-21-7-3-2-6-19(21)26/h1-10,13-14H,11-12,15H2,(H,29,31)(H,30,32)
InChIKeyMNIAVXXDIWYNLW-UHFFFAOYSA-N
MW504.80 g/mol
LogP6.09
Rot. Bonds9

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

N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide (PubChem CID 5025171) has the molecular formula C24H20Cl3N3O3 and a molecular weight of 504.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide
PubChem CID5025171
Molecular FormulaC24H20Cl3N3O3
Molecular Weight504.80 g/mol
Exact Mass503.06
IUPAC NameN-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H20Cl3N3O3/c25-18-10-9-17(20(27)13-18)15-33-22-8-4-1-5-16(22)14-28-30-24(32)12-11-23(31)29-21-7-3-2-6-19(21)26/h1-10,13-14H,11-12,15H2,(H,29,31)(H,30,32)
InChIKeyMNIAVXXDIWYNLW-UHFFFAOYSA-N
XLogP6.09
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.80
LogP ≤ 56.09
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

2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379840
N-(2-chlorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]butanediamide
CID 4587458
N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 5230712
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944528
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide
CID 5177833
N'-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 4215625
2-(4-bromoanilino)-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126349752
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide
CID 3954725
N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3569452
2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245231
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 3451254
N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide
CID 3428879

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide (CID 5025171) is N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide is O=C(CCC(=O)Nc1ccccc1Cl)NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide?
The InChIKey is MNIAVXXDIWYNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N3O3/c25-18-10-9-17(20(27)13-18)15-33-22-8-4-1-5-16(22)14-28-30-24(32)12-11-23(31)29-21-7-3-2-6-19(21)26/h1-10,13-14H,11-12,15H2,(H,29,31)(H,30,32).
What are the key properties of N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide?
N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide has a molecular weight of 504.80 g/mol, XLogP of 6.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]butanediamide is sourced from PubChem (CID 5025171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).