1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone

C24H16F3NO2 — CID 170222180

IUPAC1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(=O)c3ccccc3)n3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C24H16F3NO2/c1-15(29)16-7-9-17(10-8-16)20-14-22(23(30)18-5-3-2-4-6-18)28-12-11-19(13-21(20)28)24(25,26)27/h2-14H,1H3
InChIKeyRRXRYINELAFCEO-UHFFFAOYSA-N
MW407.39 g/mol
LogP6.06
Rot. Bonds4

About 1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone

1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone (PubChem CID 170222180) has the molecular formula C24H16F3NO2 and a molecular weight of 407.39 g/mol. Its IUPAC name is 1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone
PubChem CID170222180
Molecular FormulaC24H16F3NO2
Molecular Weight407.39 g/mol
Exact Mass407.11
IUPAC Name1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C(=O)c3ccccc3)n3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C24H16F3NO2/c1-15(29)16-7-9-17(10-8-16)20-14-22(23(30)18-5-3-2-4-6-18)28-12-11-19(13-21(20)28)24(25,26)27/h2-14H,1H3
InChIKeyRRXRYINELAFCEO-UHFFFAOYSA-N
XLogP6.06
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.39
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone (CID 170222180) is 1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone is CC(=O)c1ccc(-c2cc(C(=O)c3ccccc3)n3ccc(C(F)(F)F)cc23)cc1.
What is the InChIKey of 1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone?
The InChIKey is RRXRYINELAFCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO2/c1-15(29)16-7-9-17(10-8-16)20-14-22(23(30)18-5-3-2-4-6-18)28-12-11-19(13-21(20)28)24(25,26)27/h2-14H,1H3.
What are the key properties of 1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone?
1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone has a molecular weight of 407.39 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-benzoyl-7-(trifluoromethyl)indolizin-1-yl]phenyl]ethanone is sourced from PubChem (CID 170222180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).