N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide

C16H13Cl2N3O2 — CID 3500417

IUPACN-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
SMILESCc1ccc(C=NNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H13Cl2N3O2/c1-10-2-4-11(5-3-10)9-19-21-16(23)15(22)20-14-8-12(17)6-7-13(14)18/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyUXCHPXODZFDDCB-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.39
Rot. Bonds3

About N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide

N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide (PubChem CID 3500417) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
PubChem CID3500417
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC NameN-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
SMILESCc1ccc(C=NNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H13Cl2N3O2/c1-10-2-4-11(5-3-10)9-19-21-16(23)15(22)20-14-8-12(17)6-7-13(14)18/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyUXCHPXODZFDDCB-UHFFFAOYSA-N
XLogP3.39
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.39
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'-[(Z)-(4-bromophenyl)methylideneamino]-N-(5-chloro-2-methylphenyl)oxamide
CID 94850508
[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 4182534
N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19658498
[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3680853
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea
CID 6270607
N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide
CID 3686898
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 6162635
N-(2,5-dichlorophenyl)-N'-[(2,3-dichlorophenyl)methylideneamino]oxamide
CID 3336586
N-(4-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3969942
[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 4583461
N'-[[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3464017
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 3426233

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide (CID 3500417) is N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide is Cc1ccc(C=NNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide?
The InChIKey is UXCHPXODZFDDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-10-2-4-11(5-3-10)9-19-21-16(23)15(22)20-14-8-12(17)6-7-13(14)18/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide?
N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide has a molecular weight of 350.21 g/mol, XLogP of 3.39, 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'-[(4-methylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 3500417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).