N-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide

C15H11ClFN3O3 — CID 135554234

IUPACN-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFN3O3/c16-11-7-10(5-6-12(11)17)19-14(22)15(23)20-18-8-9-3-1-2-4-13(9)21/h1-8,21H,(H,19,22)(H,20,23)/b18-8+
InChIKeyBAQCGRPUJLFFFX-QGMBQPNBSA-N
MW335.72 g/mol
LogP2.27
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135554234) has the molecular formula C15H11ClFN3O3 and a molecular weight of 335.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135554234
Molecular FormulaC15H11ClFN3O3
Molecular Weight335.72 g/mol
Exact Mass335.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFN3O3/c16-11-7-10(5-6-12(11)17)19-14(22)15(23)20-18-8-9-3-1-2-4-13(9)21/h1-8,21H,(H,19,22)(H,20,23)/b18-8+
InChIKeyBAQCGRPUJLFFFX-QGMBQPNBSA-N
XLogP2.27
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.72
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (CID 135554234) is N-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is BAQCGRPUJLFFFX-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H11ClFN3O3/c16-11-7-10(5-6-12(11)17)19-14(22)15(23)20-18-8-9-3-1-2-4-13(9)21/h1-8,21H,(H,19,22)(H,20,23)/b18-8+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
N-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 335.72 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135554234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).