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

C17H16ClN3O3 — CID 4663699

IUPACN-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
SMILESCCOc1ccccc1C=NNC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c1-2-24-15-6-4-3-5-12(15)11-19-21-17(23)16(22)20-14-9-7-13(18)8-10-14/h3-11H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyGNJWGMLSMGAARJ-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.83
Rot. Bonds5

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

N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide (PubChem CID 4663699) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
PubChem CID4663699
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
SMILESCCOc1ccccc1C=NNC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c1-2-24-15-6-4-3-5-12(15)11-19-21-17(23)16(22)20-14-9-7-13(18)8-10-14/h3-11H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyGNJWGMLSMGAARJ-UHFFFAOYSA-N
XLogP2.83
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
CID 94833531
[2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6290283
N-(2-ethoxyphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988821
N-(4-ethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988796
N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931109
4-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 4695388
N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 51061218
2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989560
2-[2-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989610
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126276759

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide (CID 4663699) is N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide is CCOc1ccccc1C=NNC(=O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide?
The InChIKey is GNJWGMLSMGAARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-2-24-15-6-4-3-5-12(15)11-19-21-17(23)16(22)20-14-9-7-13(18)8-10-14/h3-11H,2H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide?
N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide has a molecular weight of 345.79 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 4663699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).