2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide

C17H17ClN2O2 — CID 24606303

IUPAC2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CO/N=C/c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-13(15-8-5-9-16(18)10-15)20-17(21)12-22-19-11-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,20,21)/b19-11+
InChIKeyUXPGODCIDMYDLI-YBFXNURJSA-N
MW316.79 g/mol
LogP3.57
Rot. Bonds6

About 2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide

2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide (PubChem CID 24606303) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide
PubChem CID24606303
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CO/N=C/c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-13(15-8-5-9-16(18)10-15)20-17(21)12-22-19-11-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,20,21)/b19-11+
InChIKeyUXPGODCIDMYDLI-YBFXNURJSA-N
XLogP3.57
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.57
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-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926175
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926176
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7515116
N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide
CID 7919049
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7811648
2-[(Z)-benzylideneamino]oxy-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 7644254
N-[1-(3-chlorophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78773456
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 7786184
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 7786183
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide (CID 24606303) is 2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide is CC(NC(=O)CO/N=C/c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is UXPGODCIDMYDLI-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-13(15-8-5-9-16(18)10-15)20-17(21)12-22-19-11-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,20,21)/b19-11+.
What are the key properties of 2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide?
2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 316.79 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-benzylideneamino]oxy-N-[1-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 24606303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).