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

C23H18Cl3N3O3 — CID 4669698

IUPACN'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)NN=Cc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C23H18Cl3N3O3/c24-18-7-3-1-6-16(18)14-32-21-8-4-2-5-15(21)13-27-29-23(31)12-22(30)28-17-9-10-19(25)20(26)11-17/h1-11,13H,12,14H2,(H,28,30)(H,29,31)
InChIKeyBBCQRLJJGVIMFW-UHFFFAOYSA-N
MW490.77 g/mol
LogP5.70
Rot. Bonds8

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

N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide (PubChem CID 4669698) has the molecular formula C23H18Cl3N3O3 and a molecular weight of 490.77 g/mol. Its IUPAC name is N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
PubChem CID4669698
Molecular FormulaC23H18Cl3N3O3
Molecular Weight490.77 g/mol
Exact Mass489.04
IUPAC NameN'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)NN=Cc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C23H18Cl3N3O3/c24-18-7-3-1-6-16(18)14-32-21-8-4-2-5-15(21)13-27-29-23(31)12-22(30)28-17-9-10-19(25)20(26)11-17/h1-11,13H,12,14H2,(H,28,30)(H,29,31)
InChIKeyBBCQRLJJGVIMFW-UHFFFAOYSA-N
XLogP5.70
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.77
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4241440
N-(3,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135716686
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 3451254
N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4663988
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 758615
N'-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)propanediamide
CID 4679540
N-(3-chloro-4-methylphenyl)-N'-[(2-prop-2-enoxyphenyl)methylideneamino]propanediamide
CID 3959543
N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3569452
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 5214924
N'-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chloro-4-methylphenyl)butanediamide
CID 5133389
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 4695388
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 4319718

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide?
The IUPAC name of N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide (CID 4669698) is N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide.
What is the SMILES notation for N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide?
The canonical SMILES for N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide is O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)NN=Cc1ccccc1OCc1ccccc1Cl.
What is the InChIKey of N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide?
The InChIKey is BBCQRLJJGVIMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O3/c24-18-7-3-1-6-16(18)14-32-21-8-4-2-5-15(21)13-27-29-23(31)12-22(30)28-17-9-10-19(25)20(26)11-17/h1-11,13H,12,14H2,(H,28,30)(H,29,31).
What are the key properties of N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide?
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide has a molecular weight of 490.77 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide is sourced from PubChem (CID 4669698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).