N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide

C20H17F2N3O — CID 54550623

IUPACN'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide
SMILESNC(Cc1ccccc1)=Nc1ncccc1OCc1c(F)cccc1F
InChIInChI=1S/C20H17F2N3O/c21-16-8-4-9-17(22)15(16)13-26-18-10-5-11-24-20(18)25-19(23)12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,23,24,25)
InChIKeyZJQLQZBECKKAON-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.17
Rot. Bonds6

About N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide

N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide (PubChem CID 54550623) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide
PubChem CID54550623
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide
SMILESNC(Cc1ccccc1)=Nc1ncccc1OCc1c(F)cccc1F
InChIInChI=1S/C20H17F2N3O/c21-16-8-4-9-17(22)15(16)13-26-18-10-5-11-24-20(18)25-19(23)12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,23,24,25)
InChIKeyZJQLQZBECKKAON-UHFFFAOYSA-N
XLogP4.17
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide?
The IUPAC name of N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide (CID 54550623) is N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide.
What is the SMILES notation for N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide?
The canonical SMILES for N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide is NC(Cc1ccccc1)=Nc1ncccc1OCc1c(F)cccc1F.
What is the InChIKey of N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide?
The InChIKey is ZJQLQZBECKKAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c21-16-8-4-9-17(22)15(16)13-26-18-10-5-11-24-20(18)25-19(23)12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,23,24,25).
What are the key properties of N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide?
N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide has a molecular weight of 353.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(2,6-difluorophenyl)methoxy]-2-pyridinyl]-2-phenylethanimidamide is sourced from PubChem (CID 54550623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).