N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide

C22H15Cl4N3O3 — CID 19658498

IUPACN-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C22H15Cl4N3O3/c23-15-4-3-14(19(26)9-15)12-32-17-6-1-13(2-7-17)11-27-29-22(31)21(30)28-20-10-16(24)5-8-18(20)25/h1-11H,12H2,(H,28,30)(H,29,31)/b27-11+
InChIKeyZJUWKLLVZUZXDA-LUOAPIJWSA-N
MW511.19 g/mol
LogP5.97
Rot. Bonds6

About N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide

N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 19658498) has the molecular formula C22H15Cl4N3O3 and a molecular weight of 511.19 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID19658498
Molecular FormulaC22H15Cl4N3O3
Molecular Weight511.19 g/mol
Exact Mass508.99
IUPAC NameN-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C22H15Cl4N3O3/c23-15-4-3-14(19(26)9-15)12-32-17-6-1-13(2-7-17)11-27-29-22(31)21(30)28-20-10-16(24)5-8-18(20)25/h1-11H,12H2,(H,28,30)(H,29,31)/b27-11+
InChIKeyZJUWKLLVZUZXDA-LUOAPIJWSA-N
XLogP5.97
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.19
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(3-chlorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4578191
N-butyl-N'-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 40977078
4-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847907
[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4182534
N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 3500417
N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 3919120
[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 1018571
N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 19660101
N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 4233936
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 51061496
[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3680853
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 5203733

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide (CID 19658498) is N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide is O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is ZJUWKLLVZUZXDA-LUOAPIJWSA-N. The full InChI is InChI=1S/C22H15Cl4N3O3/c23-15-4-3-14(19(26)9-15)12-32-17-6-1-13(2-7-17)11-27-29-22(31)21(30)28-20-10-16(24)5-8-18(20)25/h1-11H,12H2,(H,28,30)(H,29,31)/b27-11+.
What are the key properties of N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide?
N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide has a molecular weight of 511.19 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 19658498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).