N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide

C23H18Cl3N3O3 — CID 4105886

IUPACN-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C23H18Cl3N3O3/c1-14-18(24)7-4-10-21(14)28-22(30)23(31)29-27-12-15-5-2-6-16(11-15)32-13-17-19(25)8-3-9-20(17)26/h2-12H,13H2,1H3,(H,28,30)(H,29,31)
InChIKeyAZKWGNDQRYUPAB-UHFFFAOYSA-N
MW490.77 g/mol
LogP5.62
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide

N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 4105886) has the molecular formula C23H18Cl3N3O3 and a molecular weight of 490.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID4105886
Molecular FormulaC23H18Cl3N3O3
Molecular Weight490.77 g/mol
Exact Mass489.04
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C23H18Cl3N3O3/c1-14-18(24)7-4-10-21(14)28-22(30)23(31)29-27-12-15-5-2-6-16(11-15)32-13-17-19(25)8-3-9-20(17)26/h2-12H,13H2,1H3,(H,28,30)(H,29,31)
InChIKeyAZKWGNDQRYUPAB-UHFFFAOYSA-N
XLogP5.62
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.77
LogP ≤ 55.62
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-chloro-2-methylphenyl)-N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4608595
N'-[(Z)-[3-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126257803
N'-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 5098627
N'-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 4072361
N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide
CID 19659955
[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 110340726
N'-[(Z)-[3-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 126158252
N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide
CID 3686898
N'-[(E)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 19661089
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 8932252
4-chloro-N-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110340733
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 124540731

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide (CID 4105886) is N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NN=Cc1cccc(OCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is AZKWGNDQRYUPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O3/c1-14-18(24)7-4-10-21(14)28-22(30)23(31)29-27-12-15-5-2-6-16(11-15)32-13-17-19(25)8-3-9-20(17)26/h2-12H,13H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide?
N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide has a molecular weight of 490.77 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 4105886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).