8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide

C20H23ClF2N2O2 — CID 118693028

IUPAC8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
SMILESO=C(NCC1CCC(F)(F)CC1)c1cc(C2CCOC2)n2cccc(Cl)c12
InChIInChI=1S/C20H23ClF2N2O2/c21-16-2-1-8-25-17(14-5-9-27-12-14)10-15(18(16)25)19(26)24-11-13-3-6-20(22,23)7-4-13/h1-2,8,10,13-14H,3-7,9,11-12H2,(H,24,26)
InChIKeyIJVGSXYLMYOOAX-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.65
Rot. Bonds4

About 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide

8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide (PubChem CID 118693028) has the molecular formula C20H23ClF2N2O2 and a molecular weight of 396.87 g/mol. Its IUPAC name is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
PubChem CID118693028
Molecular FormulaC20H23ClF2N2O2
Molecular Weight396.87 g/mol
Exact Mass396.14
IUPAC Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
SMILESO=C(NCC1CCC(F)(F)CC1)c1cc(C2CCOC2)n2cccc(Cl)c12
InChIInChI=1S/C20H23ClF2N2O2/c21-16-2-1-8-25-17(14-5-9-27-12-14)10-15(18(16)25)19(26)24-11-13-3-6-20(22,23)7-4-13/h1-2,8,10,13-14H,3-7,9,11-12H2,(H,24,26)
InChIKeyIJVGSXYLMYOOAX-UHFFFAOYSA-N
XLogP4.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
The IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide (CID 118693028) is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide is O=C(NCC1CCC(F)(F)CC1)c1cc(C2CCOC2)n2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
The InChIKey is IJVGSXYLMYOOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF2N2O2/c21-16-2-1-8-25-17(14-5-9-27-12-14)10-15(18(16)25)19(26)24-11-13-3-6-20(22,23)7-4-13/h1-2,8,10,13-14H,3-7,9,11-12H2,(H,24,26).
What are the key properties of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide has a molecular weight of 396.87 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide is sourced from PubChem (CID 118693028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).