N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide

C14H10BrFN2O2 — CID 162658462

IUPACN'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide
SMILESO=C(/C(=N/c1ccc(F)c(Br)c1)NO)c1ccccc1
InChIInChI=1S/C14H10BrFN2O2/c15-11-8-10(6-7-12(11)16)17-14(18-20)13(19)9-4-2-1-3-5-9/h1-8,20H,(H,17,18)
InChIKeySPHGVBMHZOESRK-UHFFFAOYSA-N
MW337.15 g/mol
LogP3.48
Rot. Bonds3

About N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide

N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide (PubChem CID 162658462) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide
PubChem CID162658462
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC NameN'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide
SMILESO=C(/C(=N/c1ccc(F)c(Br)c1)NO)c1ccccc1
InChIInChI=1S/C14H10BrFN2O2/c15-11-8-10(6-7-12(11)16)17-14(18-20)13(19)9-4-2-1-3-5-9/h1-8,20H,(H,17,18)
InChIKeySPHGVBMHZOESRK-UHFFFAOYSA-N
XLogP3.48
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide?
The IUPAC name of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide (CID 162658462) is N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide.
What is the SMILES notation for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide?
The canonical SMILES for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide is O=C(/C(=N/c1ccc(F)c(Br)c1)NO)c1ccccc1.
What is the InChIKey of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide?
The InChIKey is SPHGVBMHZOESRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-11-8-10(6-7-12(11)16)17-14(18-20)13(19)9-4-2-1-3-5-9/h1-8,20H,(H,17,18).
What are the key properties of N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide?
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide has a molecular weight of 337.15 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-phenylethanimidamide is sourced from PubChem (CID 162658462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).