N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

C16H14ClN3O4 — CID 136739203

IUPACN-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(/C=N\NC(=O)C(=O)Nc2ccccc2Cl)c1O
InChIInChI=1S/C16H14ClN3O4/c1-24-13-8-4-5-10(14(13)21)9-18-20-16(23)15(22)19-12-7-3-2-6-11(12)17/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9-
InChIKeyQKJYJASGNQPVCR-NVMNQCDNSA-N
MW347.76 g/mol
LogP2.14
Rot. Bonds4

About N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (PubChem CID 136739203) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
PubChem CID136739203
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC NameN-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(/C=N\NC(=O)C(=O)Nc2ccccc2Cl)c1O
InChIInChI=1S/C16H14ClN3O4/c1-24-13-8-4-5-10(14(13)21)9-18-20-16(23)15(22)19-12-7-3-2-6-11(12)17/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9-
InChIKeyQKJYJASGNQPVCR-NVMNQCDNSA-N
XLogP2.14
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 5146554
N-(2-bromophenyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 4029992
N-(2-ethylphenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554301
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 3644481
N-(2-methoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 2250526
N-(4-bromo-2-methylphenyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 4068083
N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 4992748
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 136704523
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4201940
N-(4-ethylphenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136911866
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334540
2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 1246601

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (CID 136739203) is N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is COc1cccc(/C=N\NC(=O)C(=O)Nc2ccccc2Cl)c1O.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is QKJYJASGNQPVCR-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-24-13-8-4-5-10(14(13)21)9-18-20-16(23)15(22)19-12-7-3-2-6-11(12)17/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9-.
What are the key properties of N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 347.76 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 136739203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).