2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide

C15H12BrFN2O2 — CID 7670659

IUPAC2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
SMILESO=C(CO/N=C\c1ccccc1Br)Nc1ccc(F)cc1
InChIInChI=1S/C15H12BrFN2O2/c16-14-4-2-1-3-11(14)9-18-21-10-15(20)19-13-7-5-12(17)6-8-13/h1-9H,10H2,(H,19,20)/b18-9-
InChIKeyMPMZBPSPOFYKIT-NVMNQCDNSA-N
MW351.18 g/mol
LogP3.58
Rot. Bonds5

About 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide

2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide (PubChem CID 7670659) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
PubChem CID7670659
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
SMILESO=C(CO/N=C\c1ccccc1Br)Nc1ccc(F)cc1
InChIInChI=1S/C15H12BrFN2O2/c16-14-4-2-1-3-11(14)9-18-21-10-15(20)19-13-7-5-12(17)6-8-13/h1-9H,10H2,(H,19,20)/b18-9-
InChIKeyMPMZBPSPOFYKIT-NVMNQCDNSA-N
XLogP3.58
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670162
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591
2-[(2-bromophenyl)methylideneamino]oxyacetic acid
CID 2336636
N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703146
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
CID 9354585
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354583
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(4-phenyldiazenylphenyl)acetamide
CID 7664217
2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 4272476
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
CID 7703124
N-(4-acetylphenyl)-2-[(2-ethoxyphenyl)methylideneamino]oxyacetamide
CID 2530880
N-(3-chlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703265
N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670074

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide (CID 7670659) is 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide is O=C(CO/N=C\c1ccccc1Br)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide?
The InChIKey is MPMZBPSPOFYKIT-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c16-14-4-2-1-3-11(14)9-18-21-10-15(20)19-13-7-5-12(17)6-8-13/h1-9H,10H2,(H,19,20)/b18-9-.
What are the key properties of 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide?
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide has a molecular weight of 351.18 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7670659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).