8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide

C21H27ClN2O2 — CID 145010883

IUPAC8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
SMILESCC1CCCC(CNC(=O)c2cc(C3CCOC3)n3cccc(Cl)c23)C1
InChIInChI=1S/C21H27ClN2O2/c1-14-4-2-5-15(10-14)12-23-21(25)17-11-19(16-7-9-26-13-16)24-8-3-6-18(22)20(17)24/h3,6,8,11,14-16H,2,4-5,7,9-10,12-13H2,1H3,(H,23,25)
InChIKeyJFNLTLYRQKRQFW-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.65
Rot. Bonds4

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

8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide (PubChem CID 145010883) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
PubChem CID145010883
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
SMILESCC1CCCC(CNC(=O)c2cc(C3CCOC3)n3cccc(Cl)c23)C1
InChIInChI=1S/C21H27ClN2O2/c1-14-4-2-5-15(10-14)12-23-21(25)17-11-19(16-7-9-26-13-16)24-8-3-6-18(22)20(17)24/h3,6,8,11,14-16H,2,4-5,7,9-10,12-13H2,1H3,(H,23,25)
InChIKeyJFNLTLYRQKRQFW-UHFFFAOYSA-N
XLogP4.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
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-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
The IUPAC name of 8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide (CID 145010883) is 8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide is CC1CCCC(CNC(=O)c2cc(C3CCOC3)n3cccc(Cl)c23)C1.
What is the InChIKey of 8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
The InChIKey is JFNLTLYRQKRQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-14-4-2-5-15(10-14)12-23-21(25)17-11-19(16-7-9-26-13-16)24-8-3-6-18(22)20(17)24/h3,6,8,11,14-16H,2,4-5,7,9-10,12-13H2,1H3,(H,23,25).
What are the key properties of 8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide?
8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide has a molecular weight of 374.91 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-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide is sourced from PubChem (CID 145010883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).