8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide

C22H26ClF3N2O3 — CID 118693019

IUPAC8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide
SMILESO=C(NCC1(O)CCCC(C(F)(F)F)C1)c1cc(C2CCOCC2)n2cccc(Cl)c12
InChIInChI=1S/C22H26ClF3N2O3/c23-17-4-2-8-28-18(14-5-9-31-10-6-14)11-16(19(17)28)20(29)27-13-21(30)7-1-3-15(12-21)22(24,25)26/h2,4,8,11,14-15,30H,1,3,5-7,9-10,12-13H2,(H,27,29)
InChIKeyJUQGQRZGIKYROO-UHFFFAOYSA-N
MW458.91 g/mol
LogP4.70
Rot. Bonds4

About 8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide

8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide (PubChem CID 118693019) has the molecular formula C22H26ClF3N2O3 and a molecular weight of 458.91 g/mol. Its IUPAC name is 8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide
PubChem CID118693019
Molecular FormulaC22H26ClF3N2O3
Molecular Weight458.91 g/mol
Exact Mass458.16
IUPAC Name8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide
SMILESO=C(NCC1(O)CCCC(C(F)(F)F)C1)c1cc(C2CCOCC2)n2cccc(Cl)c12
InChIInChI=1S/C22H26ClF3N2O3/c23-17-4-2-8-28-18(14-5-9-31-10-6-14)11-16(19(17)28)20(29)27-13-21(30)7-1-3-15(12-21)22(24,25)26/h2,4,8,11,14-15,30H,1,3,5-7,9-10,12-13H2,(H,27,29)
InChIKeyJUQGQRZGIKYROO-UHFFFAOYSA-N
XLogP4.70
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide?
The IUPAC name of 8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide (CID 118693019) is 8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide is O=C(NCC1(O)CCCC(C(F)(F)F)C1)c1cc(C2CCOCC2)n2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide?
The InChIKey is JUQGQRZGIKYROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF3N2O3/c23-17-4-2-8-28-18(14-5-9-31-10-6-14)11-16(19(17)28)20(29)27-13-21(30)7-1-3-15(12-21)22(24,25)26/h2,4,8,11,14-15,30H,1,3,5-7,9-10,12-13H2,(H,27,29).
What are the key properties of 8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide?
8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide has a molecular weight of 458.91 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxan-4-yl)indolizine-1-carboxamide is sourced from PubChem (CID 118693019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).