N-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide

C16H13BrFN3O2 — CID 4072890

IUPACN-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide
SMILESCc1cc(Br)ccc1NC(=O)C(=O)NN=Cc1ccccc1F
InChIInChI=1S/C16H13BrFN3O2/c1-10-8-12(17)6-7-14(10)20-15(22)16(23)21-19-9-11-4-2-3-5-13(11)18/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyHSSMTUNAXUFFAX-UHFFFAOYSA-N
MW378.20 g/mol
LogP2.99
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide

N-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide (PubChem CID 4072890) has the molecular formula C16H13BrFN3O2 and a molecular weight of 378.20 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide
PubChem CID4072890
Molecular FormulaC16H13BrFN3O2
Molecular Weight378.20 g/mol
Exact Mass377.02
IUPAC NameN-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide
SMILESCc1cc(Br)ccc1NC(=O)C(=O)NN=Cc1ccccc1F
InChIInChI=1S/C16H13BrFN3O2/c1-10-8-12(17)6-7-14(10)20-15(22)16(23)21-19-9-11-4-2-3-5-13(11)18/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyHSSMTUNAXUFFAX-UHFFFAOYSA-N
XLogP2.99
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.20
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide (CID 4072890) is N-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide is Cc1cc(Br)ccc1NC(=O)C(=O)NN=Cc1ccccc1F.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide?
The InChIKey is HSSMTUNAXUFFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O2/c1-10-8-12(17)6-7-14(10)20-15(22)16(23)21-19-9-11-4-2-3-5-13(11)18/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide?
N-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide has a molecular weight of 378.20 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-N'-[(2-fluorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 4072890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).