N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide

C15H12BrFN2O2 — CID 7703146

IUPACN-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
SMILESO=C(CO/N=C\c1ccccc1F)Nc1cccc(Br)c1
InChIInChI=1S/C15H12BrFN2O2/c16-12-5-3-6-13(8-12)19-15(20)10-21-18-9-11-4-1-2-7-14(11)17/h1-9H,10H2,(H,19,20)/b18-9-
InChIKeyMDVDLLINRMPMHQ-NVMNQCDNSA-N
MW351.18 g/mol
LogP3.58
Rot. Bonds5

About N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide

N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide (PubChem CID 7703146) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
PubChem CID7703146
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC NameN-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
SMILESO=C(CO/N=C\c1ccccc1F)Nc1cccc(Br)c1
InChIInChI=1S/C15H12BrFN2O2/c16-12-5-3-6-13(8-12)19-15(20)10-21-18-9-11-4-1-2-7-14(11)17/h1-9H,10H2,(H,19,20)/b18-9-
InChIKeyMDVDLLINRMPMHQ-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-(3-chlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703265
N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670074
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
CID 7703124
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
CID 7670659
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7644292
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
CID 7703285
N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78767132
N-(3-acetylphenyl)-2-[(E)-(2-ethoxyphenyl)methylideneamino]oxyacetamide
CID 16545197
N-benzyl-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703253
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
CID 9354637
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7701194

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide (CID 7703146) is N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide is O=C(CO/N=C\c1ccccc1F)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide?
The InChIKey is MDVDLLINRMPMHQ-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c16-12-5-3-6-13(8-12)19-15(20)10-21-18-9-11-4-1-2-7-14(11)17/h1-9H,10H2,(H,19,20)/b18-9-.
What are the key properties of N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide?
N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide 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 N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7703146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).