1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine

C20H19F4N3O — CID 91359948

IUPAC1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine
SMILESFc1ccc2c(c1)C(/C=N/c1ccc(N3CCOCC3)c(C(F)(F)F)c1)CN2
InChIInChI=1S/C20H19F4N3O/c21-14-1-3-18-16(9-14)13(12-26-18)11-25-15-2-4-19(17(10-15)20(22,23)24)27-5-7-28-8-6-27/h1-4,9-11,13,26H,5-8,12H2/b25-11+
InChIKeyJZAGTIFCWJOOHI-OPEKNORGSA-N
MW393.38 g/mol
LogP4.59
Rot. Bonds3

About 1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine

1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine (PubChem CID 91359948) has the molecular formula C20H19F4N3O and a molecular weight of 393.38 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine
PubChem CID91359948
Molecular FormulaC20H19F4N3O
Molecular Weight393.38 g/mol
Exact Mass393.15
IUPAC Name1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine
SMILESFc1ccc2c(c1)C(/C=N/c1ccc(N3CCOCC3)c(C(F)(F)F)c1)CN2
InChIInChI=1S/C20H19F4N3O/c21-14-1-3-18-16(9-14)13(12-26-18)11-25-15-2-4-19(17(10-15)20(22,23)24)27-5-7-28-8-6-27/h1-4,9-11,13,26H,5-8,12H2/b25-11+
InChIKeyJZAGTIFCWJOOHI-OPEKNORGSA-N
XLogP4.59
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine (CID 91359948) is 1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine is Fc1ccc2c(c1)C(/C=N/c1ccc(N3CCOCC3)c(C(F)(F)F)c1)CN2.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is JZAGTIFCWJOOHI-OPEKNORGSA-N. The full InChI is InChI=1S/C20H19F4N3O/c21-14-1-3-18-16(9-14)13(12-26-18)11-25-15-2-4-19(17(10-15)20(22,23)24)27-5-7-28-8-6-27/h1-4,9-11,13,26H,5-8,12H2/b25-11+.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine?
1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 393.38 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 91359948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).