N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide

C19H19Cl2N3O3 — CID 6256500

IUPACN-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H19Cl2N3O3/c1-2-9-27-16-7-3-13(4-8-16)11-23-24-19(26)18(25)22-12-14-5-6-15(20)10-17(14)21/h3-8,10-11H,2,9,12H2,1H3,(H,22,25)(H,24,26)/b23-11-
InChIKeyLQVGRYGPUQKGCQ-KSEXSDGBSA-N
MW408.29 g/mol
LogP3.55
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide

N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide (PubChem CID 6256500) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
PubChem CID6256500
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H19Cl2N3O3/c1-2-9-27-16-7-3-13(4-8-16)11-23-24-19(26)18(25)22-12-14-5-6-15(20)10-17(14)21/h3-8,10-11H,2,9,12H2,1H3,(H,22,25)(H,24,26)/b23-11-
InChIKeyLQVGRYGPUQKGCQ-KSEXSDGBSA-N
XLogP3.55
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.55
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-butyl-N'-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 40977078
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061552
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 110525171
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988888
1-(3-chlorophenyl)-3-[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 110537001
N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19658498
N-[(Z)-(4-butoxyphenyl)methylideneamino]-1-[(2,4-dichlorophenyl)methyl]pyrazole-3-carboxamide
CID 51388939
N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988898
N-(3-chlorophenyl)-N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4578191
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126278911
N'-[(E)-(4-butoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 21212792
N'-[(Z)-(4-methoxyphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8900317

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide (CID 6256500) is N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide is CCCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is LQVGRYGPUQKGCQ-KSEXSDGBSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c1-2-9-27-16-7-3-13(4-8-16)11-23-24-19(26)18(25)22-12-14-5-6-15(20)10-17(14)21/h3-8,10-11H,2,9,12H2,1H3,(H,22,25)(H,24,26)/b23-11-.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide?
N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 408.29 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6256500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).