N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide

C18H17F3N2O5 — CID 9316924

IUPACN-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESCOc1cc(/C=N\NC(=O)COc2ccccc2F)cc(OC)c1OC(F)F
InChIInChI=1S/C18H17F3N2O5/c1-25-14-7-11(8-15(26-2)17(14)28-18(20)21)9-22-23-16(24)10-27-13-6-4-3-5-12(13)19/h3-9,18H,10H2,1-2H3,(H,23,24)/b22-9-
InChIKeyXLKIDXOCYVQEPN-AFPJDJCSSA-N
MW398.34 g/mol
LogP2.97
Rot. Bonds9

About N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide

N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide (PubChem CID 9316924) has the molecular formula C18H17F3N2O5 and a molecular weight of 398.34 g/mol. Its IUPAC name is N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide
PubChem CID9316924
Molecular FormulaC18H17F3N2O5
Molecular Weight398.34 g/mol
Exact Mass398.11
IUPAC NameN-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide
SMILESCOc1cc(/C=N\NC(=O)COc2ccccc2F)cc(OC)c1OC(F)F
InChIInChI=1S/C18H17F3N2O5/c1-25-14-7-11(8-15(26-2)17(14)28-18(20)21)9-22-23-16(24)10-27-13-6-4-3-5-12(13)19/h3-9,18H,10H2,1-2H3,(H,23,24)/b22-9-
InChIKeyXLKIDXOCYVQEPN-AFPJDJCSSA-N
XLogP2.97
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040
2-(2-fluorophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 7787134
2-(2-fluorophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135852687
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19190612
2-(2-nitrophenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5457712
[4-[(Z)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 29226515
N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-N-propan-2-yloxamide
CID 9352006
ethyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]carbamate
CID 9076015
2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide
CID 8979030
N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5124745
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-difluorophenoxy)acetamide
CID 135900725
[4-[(E)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] pyridine-3-carboxylate
CID 6911090

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide (CID 9316924) is N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide is COc1cc(/C=N\NC(=O)COc2ccccc2F)cc(OC)c1OC(F)F.
What is the InChIKey of N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide?
The InChIKey is XLKIDXOCYVQEPN-AFPJDJCSSA-N. The full InChI is InChI=1S/C18H17F3N2O5/c1-25-14-7-11(8-15(26-2)17(14)28-18(20)21)9-22-23-16(24)10-27-13-6-4-3-5-12(13)19/h3-9,18H,10H2,1-2H3,(H,23,24)/b22-9-.
What are the key properties of N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide?
N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide has a molecular weight of 398.34 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 9316924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).