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

C23H17Cl4N3O3 — CID 4241440

IUPACN-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1Cl)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H17Cl4N3O3/c24-16-9-8-14(10-18(16)26)13-33-20-7-2-1-4-15(20)12-28-30-22(32)11-21(31)29-19-6-3-5-17(25)23(19)27/h1-10,12H,11,13H2,(H,29,31)(H,30,32)
InChIKeyTZGOBSRKTFBQTA-UHFFFAOYSA-N
MW525.22 g/mol
LogP6.36
Rot. Bonds8

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

N-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide (PubChem CID 4241440) has the molecular formula C23H17Cl4N3O3 and a molecular weight of 525.22 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
PubChem CID4241440
Molecular FormulaC23H17Cl4N3O3
Molecular Weight525.22 g/mol
Exact Mass523.00
IUPAC NameN-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1Cl)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H17Cl4N3O3/c24-16-9-8-14(10-18(16)26)13-33-20-7-2-1-4-15(20)12-28-30-22(32)11-21(31)29-19-6-3-5-17(25)23(19)27/h1-10,12H,11,13H2,(H,29,31)(H,30,32)
InChIKeyTZGOBSRKTFBQTA-UHFFFAOYSA-N
XLogP6.36
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.22
LogP ≤ 56.36
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-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide
CID 5029498
N-(2,3-dichlorophenyl)-N'-[(2-prop-2-enoxyphenyl)methylideneamino]propanediamide
CID 5154234
N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3569452
N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)butanediamide
CID 3575444
1-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 3899116
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)propanediamide
CID 4669698
N'-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-chlorophenyl)propanediamide
CID 4991419
N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 5125642
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 19061038
N-(3-chloro-4-methylphenyl)-N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4663988
N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3875423
N'-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)propanediamide
CID 5135412

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide (CID 4241440) is N-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide is O=C(CC(=O)Nc1cccc(Cl)c1Cl)NN=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide?
The InChIKey is TZGOBSRKTFBQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl4N3O3/c24-16-9-8-14(10-18(16)26)13-33-20-7-2-1-4-15(20)12-28-30-22(32)11-21(31)29-19-6-3-5-17(25)23(19)27/h1-10,12H,11,13H2,(H,29,31)(H,30,32).
What are the key properties of N-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide?
N-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide has a molecular weight of 525.22 g/mol, XLogP of 6.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]propanediamide is sourced from PubChem (CID 4241440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).