8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide

C19H23ClF2N2O2 — CID 118693016

IUPAC8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide
SMILES[2H]C([2H])([2H])OCCc1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccn12
InChIInChI=1S/C19H23ClF2N2O2/c1-26-10-6-14-11-15(17-16(20)3-2-9-24(14)17)18(25)23-12-13-4-7-19(21,22)8-5-13/h2-3,9,11,13H,4-8,10,12H2,1H3,(H,23,25)/i1D3
InChIKeyYNXKKKGYVKPVTH-FIBGUPNXSA-N
MW387.87 g/mol
LogP4.34
Rot. Bonds7

About 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide

8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide (PubChem CID 118693016) has the molecular formula C19H23ClF2N2O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide
PubChem CID118693016
Molecular FormulaC19H23ClF2N2O2
Molecular Weight387.87 g/mol
Exact Mass387.16
IUPAC Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide
SMILES[2H]C([2H])([2H])OCCc1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccn12
InChIInChI=1S/C19H23ClF2N2O2/c1-26-10-6-14-11-15(17-16(20)3-2-9-24(14)17)18(25)23-12-13-4-7-19(21,22)8-5-13/h2-3,9,11,13H,4-8,10,12H2,1H3,(H,23,25)/i1D3
InChIKeyYNXKKKGYVKPVTH-FIBGUPNXSA-N
XLogP4.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide?
The IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide (CID 118693016) is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide is [2H]C([2H])([2H])OCCc1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccn12.
What is the InChIKey of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide?
The InChIKey is YNXKKKGYVKPVTH-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H23ClF2N2O2/c1-26-10-6-14-11-15(17-16(20)3-2-9-24(14)17)18(25)23-12-13-4-7-19(21,22)8-5-13/h2-3,9,11,13H,4-8,10,12H2,1H3,(H,23,25)/i1D3.
What are the key properties of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide?
8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.34, 7 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-[2-(trideuteriomethoxy)ethyl]indolizine-1-carboxamide is sourced from PubChem (CID 118693016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).