N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide

C17H16ClN3O3 — CID 19661028

IUPACN-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClN3O3/c1-11(12-3-9-15(24-2)10-4-12)20-21-17(23)16(22)19-14-7-5-13(18)6-8-14/h3-10H,1-2H3,(H,19,22)(H,21,23)/b20-11+
InChIKeyUFFZPFSFDILMNS-RGVLZGJSSA-N
MW345.79 g/mol
LogP2.83
Rot. Bonds4

About N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide

N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide (PubChem CID 19661028) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide
PubChem CID19661028
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClN3O3/c1-11(12-3-9-15(24-2)10-4-12)20-21-17(23)16(22)19-14-7-5-13(18)6-8-14/h3-10H,1-2H3,(H,19,22)(H,21,23)/b20-11+
InChIKeyUFFZPFSFDILMNS-RGVLZGJSSA-N
XLogP2.83
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
N-(4-chlorophenyl)-N'-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 19661284
[4-[(E)-N-[[2-(4-carbamoylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-chlorobenzoate
CID 19659120
[4-[N-[[2-(3,4-dichloroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-chlorobenzoate
CID 4140531
2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide
CID 71960114
N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 19658584
[4-[(E)-C-methyl-N-[[2-oxo-2-[4-(trifluoromethyl)anilino]acetyl]amino]carbonimidoyl]phenyl] 4-methoxybenzoate
CID 19658629
[4-[(E)-N-[[2-(4-chloroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 19661211
[4-[(E)-N-[[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 19660760
N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 3527401

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide?
The IUPAC name of N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide (CID 19661028) is N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide is COc1ccc(/C(C)=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide?
The InChIKey is UFFZPFSFDILMNS-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-11(12-3-9-15(24-2)10-4-12)20-21-17(23)16(22)19-14-7-5-13(18)6-8-14/h3-10H,1-2H3,(H,19,22)(H,21,23)/b20-11+.
What are the key properties of N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide?
N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide has a molecular weight of 345.79 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide is sourced from PubChem (CID 19661028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).