N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide

C17H16ClN3O4 — CID 4992748

IUPACN-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1OC
InChIInChI=1S/C17H16ClN3O4/c1-24-14-8-7-11(9-15(14)25-2)10-19-21-17(23)16(22)20-13-6-4-3-5-12(13)18/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyJJPQBNCTSBITAQ-UHFFFAOYSA-N
MW361.79 g/mol
LogP2.45
Rot. Bonds5

About N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide

N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide (PubChem CID 4992748) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide
PubChem CID4992748
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC NameN-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1OC
InChIInChI=1S/C17H16ClN3O4/c1-24-14-8-7-11(9-15(14)25-2)10-19-21-17(23)16(22)20-13-6-4-3-5-12(13)18/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyJJPQBNCTSBITAQ-UHFFFAOYSA-N
XLogP2.45
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[4-[[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 4143597
N-(2-chlorophenyl)-N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]oxamide
CID 8931980
N'-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8900433
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6302384
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 124540731
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 92844365
[2-methoxy-4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
CID 5061274
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126181925
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 8931569
[4-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 4583461
2-[2-chloro-4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989828
N-(2-chlorophenyl)-N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]propanediamide
CID 3303970

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide (CID 4992748) is N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide is COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2Cl)cc1OC.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is JJPQBNCTSBITAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c1-24-14-8-7-11(9-15(14)25-2)10-19-21-17(23)16(22)20-13-6-4-3-5-12(13)18/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide?
N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide has a molecular weight of 361.79 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 4992748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).