N-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide

C18H18ClN3O4 — CID 135460584

IUPACN-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)ccc1O
InChIInChI=1S/C18H18ClN3O4/c1-3-26-16-8-12(5-7-15(16)23)10-20-22-18(25)17(24)21-14-9-13(19)6-4-11(14)2/h4-10,23H,3H2,1-2H3,(H,21,24)(H,22,25)/b20-10+
InChIKeyMBFHEYJNBXBOJN-KEBDBYFISA-N
MW375.81 g/mol
LogP2.84
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide

N-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135460584) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135460584
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)ccc1O
InChIInChI=1S/C18H18ClN3O4/c1-3-26-16-8-12(5-7-15(16)23)10-20-22-18(25)17(24)21-14-9-13(19)6-4-11(14)2/h4-10,23H,3H2,1-2H3,(H,21,24)(H,22,25)/b20-10+
InChIKeyMBFHEYJNBXBOJN-KEBDBYFISA-N
XLogP2.84
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide (CID 135460584) is N-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide is CCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)ccc1O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is MBFHEYJNBXBOJN-KEBDBYFISA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-3-26-16-8-12(5-7-15(16)23)10-20-22-18(25)17(24)21-14-9-13(19)6-4-11(14)2/h4-10,23H,3H2,1-2H3,(H,21,24)(H,22,25)/b20-10+.
What are the key properties of N-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide?
N-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 375.81 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135460584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).