[1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone

C23H16F3NO2 — CID 170222187

IUPAC[1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone
SMILESCOc1ccc(-c2cc(C(=O)c3ccccc3)n3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C23H16F3NO2/c1-29-18-9-7-15(8-10-18)19-14-21(22(28)16-5-3-2-4-6-16)27-12-11-17(13-20(19)27)23(24,25)26/h2-14H,1H3
InChIKeyZIQPZGWXGDZYGN-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.86
Rot. Bonds4

About [1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone

[1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone (PubChem CID 170222187) has the molecular formula C23H16F3NO2 and a molecular weight of 395.38 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone
PubChem CID170222187
Molecular FormulaC23H16F3NO2
Molecular Weight395.38 g/mol
Exact Mass395.11
IUPAC Name[1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone
SMILESCOc1ccc(-c2cc(C(=O)c3ccccc3)n3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C23H16F3NO2/c1-29-18-9-7-15(8-10-18)19-14-21(22(28)16-5-3-2-4-6-16)27-12-11-17(13-20(19)27)23(24,25)26/h2-14H,1H3
InChIKeyZIQPZGWXGDZYGN-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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Related Compounds

(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone
CID 170222374
1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone
CID 170222180
ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate
CID 170530629
[1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 170222147
[2-amino-3-[3,5-bis(trifluoromethyl)phenyl]-6-(4-methoxyphenyl)-4-phenylphenyl]-phenylmethanone
CID 10461064
[2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone
CID 166438740
[3,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 22648579
sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate
CID 23670330
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 146557266
3-(4-methoxybenzoyl)-N-phenylindolizine-1-carboxamide
CID 132502558
(4-methoxyphenyl) 3-(trifluoromethyl)benzoate
CID 532434
[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 82631409

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone?
The IUPAC name of [1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone (CID 170222187) is [1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone?
The canonical SMILES for [1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone is COc1ccc(-c2cc(C(=O)c3ccccc3)n3ccc(C(F)(F)F)cc23)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone?
The InChIKey is ZIQPZGWXGDZYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO2/c1-29-18-9-7-15(8-10-18)19-14-21(22(28)16-5-3-2-4-6-16)27-12-11-17(13-20(19)27)23(24,25)26/h2-14H,1H3.
What are the key properties of [1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone?
[1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone 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 [1-(4-methoxyphenyl)-7-(trifluoromethyl)indolizin-3-yl]-phenylmethanone is sourced from PubChem (CID 170222187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).