N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide

C17H15ClN2O3 — CID 16545370

IUPACN-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide
SMILESCC(=O)c1cccc(NC(=O)CO/N=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN2O3/c1-12(21)14-3-2-4-16(9-14)20-17(22)11-23-19-10-13-5-7-15(18)8-6-13/h2-10H,11H2,1H3,(H,20,22)/b19-10+
InChIKeyNWIHMKYFVTUMPD-VXLYETTFSA-N
MW330.77 g/mol
LogP3.53
Rot. Bonds6

About N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide

N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide (PubChem CID 16545370) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide
PubChem CID16545370
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide
SMILESCC(=O)c1cccc(NC(=O)CO/N=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN2O3/c1-12(21)14-3-2-4-16(9-14)20-17(22)11-23-19-10-13-5-7-15(18)8-6-13/h2-10H,11H2,1H3,(H,20,22)/b19-10+
InChIKeyNWIHMKYFVTUMPD-VXLYETTFSA-N
XLogP3.53
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7700971
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7700978
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide
CID 7700741
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
N-(3-acetylphenyl)-2-[(E)-(2-ethoxyphenyl)methylideneamino]oxyacetamide
CID 16545197
3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide
CID 24581600
ethyl 4-[[2-[(4-chlorophenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 2128037
2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 18270213
[2-(3-acetylanilino)-2-oxoethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 7880924
N-(3-chlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703265
[2-(3-acetylanilino)-2-oxoethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 2348255

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide (CID 16545370) is N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide is CC(=O)c1cccc(NC(=O)CO/N=C/c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide?
The InChIKey is NWIHMKYFVTUMPD-VXLYETTFSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-12(21)14-3-2-4-16(9-14)20-17(22)11-23-19-10-13-5-7-15(18)8-6-13/h2-10H,11H2,1H3,(H,20,22)/b19-10+.
What are the key properties of N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide?
N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide has a molecular weight of 330.77 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 16545370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).