2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid

C26H20F3NO4 — CID 10671926

IUPAC2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid
SMILESCCc1c(C(=O)O)c2c(OCc3ccccc3)cccn2c1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H20F3NO4/c1-2-19-21(25(32)33)23-20(34-15-16-8-4-3-5-9-16)12-7-13-30(23)22(19)24(31)17-10-6-11-18(14-17)26(27,28)29/h3-14H,2,15H2,1H3,(H,32,33)
InChIKeyUQFSCOQJVKLCFD-UHFFFAOYSA-N
MW467.44 g/mol
LogP6.03
Rot. Bonds7

About 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid

2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid (PubChem CID 10671926) has the molecular formula C26H20F3NO4 and a molecular weight of 467.44 g/mol. Its IUPAC name is 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid
PubChem CID10671926
Molecular FormulaC26H20F3NO4
Molecular Weight467.44 g/mol
Exact Mass467.13
IUPAC Name2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid
SMILESCCc1c(C(=O)O)c2c(OCc3ccccc3)cccn2c1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H20F3NO4/c1-2-19-21(25(32)33)23-20(34-15-16-8-4-3-5-9-16)12-7-13-30(23)22(19)24(31)17-10-6-11-18(14-17)26(27,28)29/h3-14H,2,15H2,1H3,(H,32,33)
InChIKeyUQFSCOQJVKLCFD-UHFFFAOYSA-N
XLogP6.03
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.44
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid?
The IUPAC name of 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid (CID 10671926) is 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid.
What is the SMILES notation for 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid?
The canonical SMILES for 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid is CCc1c(C(=O)O)c2c(OCc3ccccc3)cccn2c1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid?
The InChIKey is UQFSCOQJVKLCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NO4/c1-2-19-21(25(32)33)23-20(34-15-16-8-4-3-5-9-16)12-7-13-30(23)22(19)24(31)17-10-6-11-18(14-17)26(27,28)29/h3-14H,2,15H2,1H3,(H,32,33).
What are the key properties of 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid?
2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid has a molecular weight of 467.44 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-phenylmethoxy-3-[3-(trifluoromethyl)benzoyl]indolizine-1-carboxylic acid is sourced from PubChem (CID 10671926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).