2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide

C18H18F2N2O3 — CID 7644363

IUPAC2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CO/N=C\c1ccccc1OC(F)F)c1ccccc1
InChIInChI=1S/C18H18F2N2O3/c1-13(14-7-3-2-4-8-14)22-17(23)12-24-21-11-15-9-5-6-10-16(15)25-18(19)20/h2-11,13,18H,12H2,1H3,(H,22,23)/b21-11-/t13-/m0/s1
InChIKeyJLHCNFKORKHYEM-GMDDEGIZSA-N
MW348.35 g/mol
LogP3.52
Rot. Bonds8

About 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide

2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 7644363) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide
PubChem CID7644363
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CO/N=C\c1ccccc1OC(F)F)c1ccccc1
InChIInChI=1S/C18H18F2N2O3/c1-13(14-7-3-2-4-8-14)22-17(23)12-24-21-11-15-9-5-6-10-16(15)25-18(19)20/h2-11,13,18H,12H2,1H3,(H,22,23)/b21-11-/t13-/m0/s1
InChIKeyJLHCNFKORKHYEM-GMDDEGIZSA-N
XLogP3.52
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.52
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)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 7644461
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(1R)-1-phenylethyl]acetamide
CID 7703301
2-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 18292189
N-propan-2-yl-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78766744
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
CID 7644360
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7644287
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7644292
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7644362
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7644378
2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 5171892
N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide
CID 7919049
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 8837014

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide (CID 7644363) is 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)CO/N=C\c1ccccc1OC(F)F)c1ccccc1.
What is the InChIKey of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is JLHCNFKORKHYEM-GMDDEGIZSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-13(14-7-3-2-4-8-14)22-17(23)12-24-21-11-15-9-5-6-10-16(15)25-18(19)20/h2-11,13,18H,12H2,1H3,(H,22,23)/b21-11-/t13-/m0/s1.
What are the key properties of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide?
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 348.35 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 7644363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).