(Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine

C19H17FN2O2 — CID 166959749

IUPAC(Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine
SMILESCO/N=C\c1ccccc1CO/N=C(\C)C#Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c1-15(7-8-16-9-11-19(20)12-10-16)22-24-14-18-6-4-3-5-17(18)13-21-23-2/h3-6,9-13H,14H2,1-2H3/b21-13-,22-15+
InChIKeyYQBZOLKCXSRYEC-ZSUPECQLSA-N
MW324.36 g/mol
LogP3.75
Rot. Bonds5

About (Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine

(Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine (PubChem CID 166959749) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is (Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine.

Molecular Properties

Compound Name(Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine
PubChem CID166959749
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name(Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine
SMILESCO/N=C\c1ccccc1CO/N=C(\C)C#Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c1-15(7-8-16-9-11-19(20)12-10-16)22-24-14-18-6-4-3-5-17(18)13-21-23-2/h3-6,9-13H,14H2,1-2H3/b21-13-,22-15+
InChIKeyYQBZOLKCXSRYEC-ZSUPECQLSA-N
XLogP3.75
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine?
The IUPAC name of (Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine (CID 166959749) is (Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine.
What is the SMILES notation for (Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine?
The canonical SMILES for (Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine is CO/N=C\c1ccccc1CO/N=C(\C)C#Cc1ccc(F)cc1.
What is the InChIKey of (Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine?
The InChIKey is YQBZOLKCXSRYEC-ZSUPECQLSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-15(7-8-16-9-11-19(20)12-10-16)22-24-14-18-6-4-3-5-17(18)13-21-23-2/h3-6,9-13H,14H2,1-2H3/b21-13-,22-15+.
What are the key properties of (Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine?
(Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine has a molecular weight of 324.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-fluorophenyl)-N-[[2-[(Z)-methoxyiminomethyl]phenyl]methoxy]but-3-yn-2-imine is sourced from PubChem (CID 166959749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).