N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide

C17H16ClN3O2 — CID 84867392

IUPACN'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NN=Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-12-6-8-13(9-7-12)10-19-16(22)17(23)21-20-11-14-4-2-3-5-15(14)18/h2-9,11H,10H2,1H3,(H,19,22)(H,21,23)
InChIKeyMRCOEQHHRSGHPM-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.41
Rot. Bonds4

About N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide

N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 84867392) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
PubChem CID84867392
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NN=Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-12-6-8-13(9-7-12)10-19-16(22)17(23)21-20-11-14-4-2-3-5-15(14)18/h2-9,11H,10H2,1H3,(H,19,22)(H,21,23)
InChIKeyMRCOEQHHRSGHPM-UHFFFAOYSA-N
XLogP2.41
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.41
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-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898840
N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 5073412
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94847411
N'-[(Z)-[5-bromo-2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 126177218
N-benzyl-N'-[(Z)-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
CID 94836564
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3859843
N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
CID 2244358
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-[(4-methylphenyl)methyl]-N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 126002866
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 137122638
N'-[(Z)-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94836720
N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8899153

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide (CID 84867392) is N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)NN=Cc2ccccc2Cl)cc1.
What is the InChIKey of N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is MRCOEQHHRSGHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-12-6-8-13(9-7-12)10-19-16(22)17(23)21-20-11-14-4-2-3-5-15(14)18/h2-9,11H,10H2,1H3,(H,19,22)(H,21,23).
What are the key properties of N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide?
N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 329.79 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 84867392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).