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

C17H16ClN3O2 — CID 8898840

IUPACN-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
SMILESCc1ccccc1/C=N\NC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-12-4-2-3-5-14(12)11-20-21-17(23)16(22)19-10-13-6-8-15(18)9-7-13/h2-9,11H,10H2,1H3,(H,19,22)(H,21,23)/b20-11-
InChIKeyJGXCTVFELBGJOR-JAIQZWGSSA-N
MW329.79 g/mol
LogP2.41
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide (PubChem CID 8898840) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
PubChem CID8898840
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
SMILESCc1ccccc1/C=N\NC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-12-4-2-3-5-14(12)11-20-21-17(23)16(22)19-10-13-6-8-15(18)9-7-13/h2-9,11H,10H2,1H3,(H,19,22)(H,21,23)/b20-11-
InChIKeyJGXCTVFELBGJOR-JAIQZWGSSA-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'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 5073412
N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 84867392
N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
CID 2244358
N-[(4-chlorophenyl)methyl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670051
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methylideneamino]acetamide
CID 1383048
N'-[(Z)-(2-fluorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 126191968
2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 5334474
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 137122638
2-[2-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]-4-chlorophenoxy]acetic acid
CID 8989647
N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8931180
N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94847411
N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126275708

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide (CID 8898840) is N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide is Cc1ccccc1/C=N\NC(=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide?
The InChIKey is JGXCTVFELBGJOR-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-12-4-2-3-5-14(12)11-20-21-17(23)16(22)19-10-13-6-8-15(18)9-7-13/h2-9,11H,10H2,1H3,(H,19,22)(H,21,23)/b20-11-.
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide?
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]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-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8898840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).