8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide

C20H25ClF2N2O2 — CID 118693015

IUPAC8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
SMILESCOCCc1cc(C(=O)NCC2CC(C)CC(F)(F)C2)c2c(Cl)cccn12
InChIInChI=1S/C20H25ClF2N2O2/c1-13-8-14(11-20(22,23)10-13)12-24-19(26)16-9-15(5-7-27-2)25-6-3-4-17(21)18(16)25/h3-4,6,9,13-14H,5,7-8,10-12H2,1-2H3,(H,24,26)
InChIKeyMEVDNHBISBYPAM-UHFFFAOYSA-N
MW398.88 g/mol
LogP4.58
Rot. Bonds6

About 8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide

8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide (PubChem CID 118693015) has the molecular formula C20H25ClF2N2O2 and a molecular weight of 398.88 g/mol. Its IUPAC name is 8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
PubChem CID118693015
Molecular FormulaC20H25ClF2N2O2
Molecular Weight398.88 g/mol
Exact Mass398.16
IUPAC Name8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
SMILESCOCCc1cc(C(=O)NCC2CC(C)CC(F)(F)C2)c2c(Cl)cccn12
InChIInChI=1S/C20H25ClF2N2O2/c1-13-8-14(11-20(22,23)10-13)12-24-19(26)16-9-15(5-7-27-2)25-6-3-4-17(21)18(16)25/h3-4,6,9,13-14H,5,7-8,10-12H2,1-2H3,(H,24,26)
InChIKeyMEVDNHBISBYPAM-UHFFFAOYSA-N
XLogP4.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide?
The IUPAC name of 8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide (CID 118693015) is 8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide is COCCc1cc(C(=O)NCC2CC(C)CC(F)(F)C2)c2c(Cl)cccn12.
What is the InChIKey of 8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide?
The InChIKey is MEVDNHBISBYPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClF2N2O2/c1-13-8-14(11-20(22,23)10-13)12-24-19(26)16-9-15(5-7-27-2)25-6-3-4-17(21)18(16)25/h3-4,6,9,13-14H,5,7-8,10-12H2,1-2H3,(H,24,26).
What are the key properties of 8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide?
8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide has a molecular weight of 398.88 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(3,3-difluoro-5-methylcyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide is sourced from PubChem (CID 118693015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).