N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

C17H16BrFN2O2 — CID 7704854

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESC[C@H](NC(=O)CO/N=C\c1cccc(F)c1)c1ccccc1Br
InChIInChI=1S/C17H16BrFN2O2/c1-12(15-7-2-3-8-16(15)18)21-17(22)11-23-20-10-13-5-4-6-14(19)9-13/h2-10,12H,11H2,1H3,(H,21,22)/b20-10-/t12-/m0/s1
InChIKeyGCLCPIAUMCDORO-XGTDKWECSA-N
MW379.23 g/mol
LogP3.82
Rot. Bonds6

About N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide

N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (PubChem CID 7704854) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
PubChem CID7704854
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
SMILESC[C@H](NC(=O)CO/N=C\c1cccc(F)c1)c1ccccc1Br
InChIInChI=1S/C17H16BrFN2O2/c1-12(15-7-2-3-8-16(15)18)21-17(22)11-23-20-10-13-5-4-6-14(19)9-13/h2-10,12H,11H2,1H3,(H,21,22)/b20-10-/t12-/m0/s1
InChIKeyGCLCPIAUMCDORO-XGTDKWECSA-N
XLogP3.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.82
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

2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 7644254
N-(4-bromo-3-methylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704359
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704639
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 9220031
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
N-(3,4-dimethylphenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704309
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7704785
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707
N-(3,4-difluorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704353
2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 24606303
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8759816
N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide
CID 113344955

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide (CID 7704854) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is C[C@H](NC(=O)CO/N=C\c1cccc(F)c1)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
The InChIKey is GCLCPIAUMCDORO-XGTDKWECSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c1-12(15-7-2-3-8-16(15)18)21-17(22)11-23-20-10-13-5-4-6-14(19)9-13/h2-10,12H,11H2,1H3,(H,21,22)/b20-10-/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide has a molecular weight of 379.23 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7704854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).