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

C20H23ClF2N2O3 — CID 118693013

IUPAC8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
SMILESO=C(NCC1(O)CCC(F)(F)CC1)c1cc(C2CCOC2)n2cccc(Cl)c12
InChIInChI=1S/C20H23ClF2N2O3/c21-15-2-1-8-25-16(13-3-9-28-11-13)10-14(17(15)25)18(26)24-12-19(27)4-6-20(22,23)7-5-19/h1-2,8,10,13,27H,3-7,9,11-12H2,(H,24,26)
InChIKeyDIKDENGIVZFIED-UHFFFAOYSA-N
MW412.86 g/mol
LogP3.77
Rot. Bonds4

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

8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide (PubChem CID 118693013) has the molecular formula C20H23ClF2N2O3 and a molecular weight of 412.86 g/mol. Its IUPAC name is 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
PubChem CID118693013
Molecular FormulaC20H23ClF2N2O3
Molecular Weight412.86 g/mol
Exact Mass412.14
IUPAC Name8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
SMILESO=C(NCC1(O)CCC(F)(F)CC1)c1cc(C2CCOC2)n2cccc(Cl)c12
InChIInChI=1S/C20H23ClF2N2O3/c21-15-2-1-8-25-16(13-3-9-28-11-13)10-14(17(15)25)18(26)24-12-19(27)4-6-20(22,23)7-5-19/h1-2,8,10,13,27H,3-7,9,11-12H2,(H,24,26)
InChIKeyDIKDENGIVZFIED-UHFFFAOYSA-N
XLogP3.77
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.86
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)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-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
The IUPAC name of 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide (CID 118693013) is 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide is O=C(NCC1(O)CCC(F)(F)CC1)c1cc(C2CCOC2)n2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
The InChIKey is DIKDENGIVZFIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF2N2O3/c21-15-2-1-8-25-16(13-3-9-28-11-13)10-14(17(15)25)18(26)24-12-19(27)4-6-20(22,23)7-5-19/h1-2,8,10,13,27H,3-7,9,11-12H2,(H,24,26).
What are the key properties of 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide has a molecular weight of 412.86 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide is sourced from PubChem (CID 118693013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).