[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone

C20H18F2N4O2 — CID 55597407

IUPAC[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCc1c(C(=O)N2CCOC(c3ccc(F)cc3)C2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C20H18F2N4O2/c1-13-19(23-24-26(13)17-8-6-16(22)7-9-17)20(27)25-10-11-28-18(12-25)14-2-4-15(21)5-3-14/h2-9,18H,10-12H2,1H3
InChIKeyJUUFSQRCINHMFO-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.07
Rot. Bonds3

About [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone

[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 55597407) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID55597407
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCc1c(C(=O)N2CCOC(c3ccc(F)cc3)C2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C20H18F2N4O2/c1-13-19(23-24-26(13)17-8-6-16(22)7-9-17)20(27)25-10-11-28-18(12-25)14-2-4-15(21)5-3-14/h2-9,18H,10-12H2,1H3
InChIKeyJUUFSQRCINHMFO-UHFFFAOYSA-N
XLogP3.07
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 55597407) is [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone is Cc1c(C(=O)N2CCOC(c3ccc(F)cc3)C2)nnn1-c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is JUUFSQRCINHMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-13-19(23-24-26(13)17-8-6-16(22)7-9-17)20(27)25-10-11-28-18(12-25)14-2-4-15(21)5-3-14/h2-9,18H,10-12H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 384.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 55597407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).