2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide

C16H13F3N2O3 — CID 7643751

IUPAC2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CO/N=C\c1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)24-14-8-6-13(7-9-14)21-15(22)11-23-20-10-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)/b20-10-
InChIKeyDHNXLSHDLYDJTQ-JMIUGGIZSA-N
MW338.29 g/mol
LogP3.57
Rot. Bonds6

About 2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 7643751) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID7643751
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CO/N=C\c1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)24-14-8-6-13(7-9-14)21-15(22)11-23-20-10-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)/b20-10-
InChIKeyDHNXLSHDLYDJTQ-JMIUGGIZSA-N
XLogP3.57
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.57
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-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18225212
butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate
CID 7644073
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7643871
3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 708108
[[4-(2-phenylethynyl)phenyl]methylideneamino] N-[4-(trifluoromethoxy)phenyl]carbamate
CID 2822195
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 3263920
2-naphthalen-2-yloxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1370829
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-phenylpropanoate
CID 7958308
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7644043

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 7643751) is 2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CO/N=C\c1ccccc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is DHNXLSHDLYDJTQ-JMIUGGIZSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c17-16(18,19)24-14-8-6-13(7-9-14)21-15(22)11-23-20-10-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)/b20-10-.
What are the key properties of 2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 338.29 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 7643751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).