8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide

C26H27F3N2O — CID 25214251

IUPAC8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide
SMILESCC(C)(C)c1ccc(C2c3cccn3CCC2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H27F3N2O/c1-25(2,3)18-8-6-17(7-9-18)23-21(14-16-31-15-4-5-22(23)31)24(32)30-20-12-10-19(11-13-20)26(27,28)29/h4-13,15,21,23H,14,16H2,1-3H3,(H,30,32)
InChIKeyVUKUDPGPPUBMAC-UHFFFAOYSA-N
MW440.51 g/mol
LogP6.59
Rot. Bonds3

About 8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide

8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide (PubChem CID 25214251) has the molecular formula C26H27F3N2O and a molecular weight of 440.51 g/mol. Its IUPAC name is 8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide.

Molecular Properties

Compound Name8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide
PubChem CID25214251
Molecular FormulaC26H27F3N2O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide
SMILESCC(C)(C)c1ccc(C2c3cccn3CCC2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C26H27F3N2O/c1-25(2,3)18-8-6-17(7-9-18)23-21(14-16-31-15-4-5-22(23)31)24(32)30-20-12-10-19(11-13-20)26(27,28)29/h4-13,15,21,23H,14,16H2,1-3H3,(H,30,32)
InChIKeyVUKUDPGPPUBMAC-UHFFFAOYSA-N
XLogP6.59
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide?
The IUPAC name of 8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide (CID 25214251) is 8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide.
What is the SMILES notation for 8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide?
The canonical SMILES for 8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide is CC(C)(C)c1ccc(C2c3cccn3CCC2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide?
The InChIKey is VUKUDPGPPUBMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O/c1-25(2,3)18-8-6-17(7-9-18)23-21(14-16-31-15-4-5-22(23)31)24(32)30-20-12-10-19(11-13-20)26(27,28)29/h4-13,15,21,23H,14,16H2,1-3H3,(H,30,32).
What are the key properties of 8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide?
8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 6.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butylphenyl)-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroindolizine-7-carboxamide is sourced from PubChem (CID 25214251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).