N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide

C15H9Cl4N3O2 — CID 6243667

IUPACN-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl4N3O2/c16-10-5-4-9(6-12(10)18)21-14(23)15(24)22-20-7-8-2-1-3-11(17)13(8)19/h1-7H,(H,21,23)(H,22,24)/b20-7-
InChIKeyKNTZVFXMTKMUMK-SCDVKCJHSA-N
MW405.07 g/mol
LogP4.39
Rot. Bonds3

About N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide

N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide (PubChem CID 6243667) has the molecular formula C15H9Cl4N3O2 and a molecular weight of 405.07 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
PubChem CID6243667
Molecular FormulaC15H9Cl4N3O2
Molecular Weight405.07 g/mol
Exact Mass402.94
IUPAC NameN-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl4N3O2/c16-10-5-4-9(6-12(10)18)21-14(23)15(24)22-20-7-8-2-1-3-11(17)13(8)19/h1-7H,(H,21,23)(H,22,24)/b20-7-
InChIKeyKNTZVFXMTKMUMK-SCDVKCJHSA-N
XLogP4.39
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.07
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 4147303
N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 19661193
N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide
CID 3336586
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 6264911
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351462
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94847411
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136909047
N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide
CID 19659942
N-(3-chloro-4-fluorophenyl)-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 19658573
N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 45054809

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide (CID 6243667) is N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide is O=C(N/N=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide?
The InChIKey is KNTZVFXMTKMUMK-SCDVKCJHSA-N. The full InChI is InChI=1S/C15H9Cl4N3O2/c16-10-5-4-9(6-12(10)18)21-14(23)15(24)22-20-7-8-2-1-3-11(17)13(8)19/h1-7H,(H,21,23)(H,22,24)/b20-7-.
What are the key properties of N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide?
N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide has a molecular weight of 405.07 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 6243667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).