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

C17H16ClN3O3 — CID 5073412

IUPACN-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccccc1C=NNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c1-24-15-5-3-2-4-13(15)11-20-21-17(23)16(22)19-10-12-6-8-14(18)9-7-12/h2-9,11H,10H2,1H3,(H,19,22)(H,21,23)
InChIKeyCQSZIHHGMODTIO-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.12
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide (PubChem CID 5073412) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide
PubChem CID5073412
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccccc1C=NNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O3/c1-24-15-5-3-2-4-13(15)11-20-21-17(23)16(22)19-10-12-6-8-14(18)9-7-12/h2-9,11H,10H2,1H3,(H,19,22)(H,21,23)
InChIKeyCQSZIHHGMODTIO-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
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-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898840
N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
CID 2244358
N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 46741715
N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8931180
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 4071709
N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 84867392
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 8901056
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]oxamide
CID 6058233
N-(4-chloro-2-methylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4284877
2-[2-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989556
N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126172407
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'-[(2-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide (CID 5073412) is N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide is COc1ccccc1C=NNC(=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is CQSZIHHGMODTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-24-15-5-3-2-4-13(15)11-20-21-17(23)16(22)19-10-12-6-8-14(18)9-7-12/h2-9,11H,10H2,1H3,(H,19,22)(H,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide?
N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 345.79 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 5073412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).