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

C23H18Cl3N3O3 — CID 5029498

IUPACN'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1Cl)NN=Cc1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl3N3O3/c24-17-10-8-15(9-11-17)14-32-20-7-2-1-4-16(20)13-27-29-22(31)12-21(30)28-19-6-3-5-18(25)23(19)26/h1-11,13H,12,14H2,(H,28,30)(H,29,31)
InChIKeyOLEPWTQHITWJNS-UHFFFAOYSA-N
MW490.77 g/mol
LogP5.70
Rot. Bonds8

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

N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide (PubChem CID 5029498) has the molecular formula C23H18Cl3N3O3 and a molecular weight of 490.77 g/mol. Its IUPAC name is N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide
PubChem CID5029498
Molecular FormulaC23H18Cl3N3O3
Molecular Weight490.77 g/mol
Exact Mass489.04
IUPAC NameN'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1Cl)NN=Cc1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl3N3O3/c24-17-10-8-15(9-11-17)14-32-20-7-2-1-4-16(20)13-27-29-22(31)12-21(30)28-19-6-3-5-18(25)23(19)26/h1-11,13H,12,14H2,(H,28,30)(H,29,31)
InChIKeyOLEPWTQHITWJNS-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-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3569452
N-(2,3-dichlorophenyl)-N'-[(2-prop-2-enoxyphenyl)methylideneamino]propanediamide
CID 5154234
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4663988
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3903944
N'-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide
CID 5135412
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 4311932
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 4009755
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide
CID 3543860
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 831292
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 6877337

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide?
The IUPAC name of N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide (CID 5029498) is N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide.
What is the SMILES notation for N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide?
The canonical SMILES for N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide is O=C(CC(=O)Nc1cccc(Cl)c1Cl)NN=Cc1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide?
The InChIKey is OLEPWTQHITWJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O3/c24-17-10-8-15(9-11-17)14-32-20-7-2-1-4-16(20)13-27-29-22(31)12-21(30)28-19-6-3-5-18(25)23(19)26/h1-11,13H,12,14H2,(H,28,30)(H,29,31).
What are the key properties of N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide?
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-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-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide is sourced from PubChem (CID 5029498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).