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

C16H12Cl3N3O2 — CID 6264911

IUPACN-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl3N3O2/c1-9-5-6-11(17)7-13(9)21-15(23)16(24)22-20-8-10-3-2-4-12(18)14(10)19/h2-8H,1H3,(H,21,23)(H,22,24)/b20-8-
InChIKeyQVYUYOZXYHSMFK-ZBKNUEDVSA-N
MW384.65 g/mol
LogP4.04
Rot. Bonds3

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

N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide (PubChem CID 6264911) has the molecular formula C16H12Cl3N3O2 and a molecular weight of 384.65 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
PubChem CID6264911
Molecular FormulaC16H12Cl3N3O2
Molecular Weight384.65 g/mol
Exact Mass383.00
IUPAC NameN-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1cccc(Cl)c1Cl
InChIInChI=1S/C16H12Cl3N3O2/c1-9-5-6-11(17)7-13(9)21-15(23)16(24)22-20-8-10-3-2-4-12(18)14(10)19/h2-8H,1H3,(H,21,23)(H,22,24)/b20-8-
InChIKeyQVYUYOZXYHSMFK-ZBKNUEDVSA-N
XLogP4.04
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 54.04
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-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide
CID 3336586
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
N-(5-chloro-2-methylphenyl)-N'-[(Z)-[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
CID 94836969
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 3426233
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 126157140
N-(3,4-dichlorophenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 6243667
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(5-chloro-2-methylphenyl)oxamide
CID 94850508
N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5033974
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351462
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6302384
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]oxamide
CID 6058233

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide (CID 6264911) is N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1cccc(Cl)c1Cl.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide?
The InChIKey is QVYUYOZXYHSMFK-ZBKNUEDVSA-N. The full InChI is InChI=1S/C16H12Cl3N3O2/c1-9-5-6-11(17)7-13(9)21-15(23)16(24)22-20-8-10-3-2-4-12(18)14(10)19/h2-8H,1H3,(H,21,23)(H,22,24)/b20-8-.
What are the key properties of N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide?
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide has a molecular weight of 384.65 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 6264911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).