N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide

C15H9Cl4N3O2 — CID 3336586

IUPACN-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1cccc(Cl)c1Cl)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl4N3O2/c16-9-4-5-10(17)12(6-9)21-14(23)15(24)22-20-7-8-2-1-3-11(18)13(8)19/h1-7H,(H,21,23)(H,22,24)
InChIKeyCKQXNPBCIDJBNQ-UHFFFAOYSA-N
MW405.07 g/mol
LogP4.39
Rot. Bonds3

About N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide

N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide (PubChem CID 3336586) has the molecular formula C15H9Cl4N3O2 and a molecular weight of 405.07 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide
PubChem CID3336586
Molecular FormulaC15H9Cl4N3O2
Molecular Weight405.07 g/mol
Exact Mass402.94
IUPAC NameN-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1cccc(Cl)c1Cl)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl4N3O2/c16-9-4-5-10(17)12(6-9)21-14(23)15(24)22-20-7-8-2-1-3-11(18)13(8)19/h1-7H,(H,21,23)(H,22,24)
InChIKeyCKQXNPBCIDJBNQ-UHFFFAOYSA-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-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 6264911
N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 6243667
N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 3500417
N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 19661193
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]oxamide
CID 136611999
N-(2-chlorophenyl)-N'-[(E)-(3-chlorophenyl)methylideneamino]oxamide
CID 6871246
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
CID 5086061
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351462
N-(5-chloro-2-methylphenyl)-N'-[(Z)-[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
CID 94836969
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5333194

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide (CID 3336586) is N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide is O=C(NN=Cc1cccc(Cl)c1Cl)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide?
The InChIKey is CKQXNPBCIDJBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4N3O2/c16-9-4-5-10(17)12(6-9)21-14(23)15(24)22-20-7-8-2-1-3-11(18)13(8)19/h1-7H,(H,21,23)(H,22,24).
What are the key properties of N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide?
N-(2,5-dichlorophenyl)-N'-[(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-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 3336586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).