2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide

C17H17BrN2O2 — CID 7644254

IUPAC2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CO/N=C\c1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O2/c1-13(15-9-5-6-10-16(15)18)20-17(21)12-22-19-11-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,20,21)/b19-11-/t13-/m1/s1
InChIKeyYRORLUVUYWMHSN-LPXFMOJISA-N
MW361.24 g/mol
LogP3.68
Rot. Bonds6

About 2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide

2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide (PubChem CID 7644254) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
PubChem CID7644254
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CO/N=C\c1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O2/c1-13(15-9-5-6-10-16(15)18)20-17(21)12-22-19-11-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,20,21)/b19-11-/t13-/m1/s1
InChIKeyYRORLUVUYWMHSN-LPXFMOJISA-N
XLogP3.68
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.68
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-[(1S)-1-(2-bromophenyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704854
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707
(E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9220038
2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 24606303
N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78776174
N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide
CID 113344955
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 8759784
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 9220031

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide?
The IUPAC name of 2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide (CID 7644254) is 2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide is C[C@@H](NC(=O)CO/N=C\c1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide?
The InChIKey is YRORLUVUYWMHSN-LPXFMOJISA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-13(15-9-5-6-10-16(15)18)20-17(21)12-22-19-11-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,20,21)/b19-11-/t13-/m1/s1.
What are the key properties of 2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide?
2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide has a molecular weight of 361.24 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 7644254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).