(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone

C23H16F3NO2 — CID 170222374

IUPAC(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone
SMILESCOc1ccc(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)c3ccccn23)cc1
InChIInChI=1S/C23H16F3NO2/c1-29-18-11-7-16(8-12-18)22(28)21-14-19(20-4-2-3-13-27(20)21)15-5-9-17(10-6-15)23(24,25)26/h2-14H,1H3
InChIKeyZYXNPCPUOCWRKL-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.86
Rot. Bonds4

About (4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone

(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone (PubChem CID 170222374) has the molecular formula C23H16F3NO2 and a molecular weight of 395.38 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone
PubChem CID170222374
Molecular FormulaC23H16F3NO2
Molecular Weight395.38 g/mol
Exact Mass395.11
IUPAC Name(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone
SMILESCOc1ccc(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)c3ccccn23)cc1
InChIInChI=1S/C23H16F3NO2/c1-29-18-11-7-16(8-12-18)22(28)21-14-19(20-4-2-3-13-27(20)21)15-5-9-17(10-6-15)23(24,25)26/h2-14H,1H3
InChIKeyZYXNPCPUOCWRKL-UHFFFAOYSA-N
XLogP5.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone (CID 170222374) is (4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone is COc1ccc(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)c3ccccn23)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone?
The InChIKey is ZYXNPCPUOCWRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO2/c1-29-18-11-7-16(8-12-18)22(28)21-14-19(20-4-2-3-13-27(20)21)15-5-9-17(10-6-15)23(24,25)26/h2-14H,1H3.
What are the key properties of (4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone?
(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone has a molecular weight of 395.38 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone is sourced from PubChem (CID 170222374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).