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

C19H23ClF2N2O2 — CID 118693034

IUPAC8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
SMILESCOCCc1cc(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)
InChIKeyYNXKKKGYVKPVTH-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.34
Rot. Bonds6

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

8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide (PubChem CID 118693034) has the molecular formula C19H23ClF2N2O2 and a molecular weight of 384.85 g/mol. Its IUPAC name is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
PubChem CID118693034
Molecular FormulaC19H23ClF2N2O2
Molecular Weight384.85 g/mol
Exact Mass384.14
IUPAC Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
SMILESCOCCc1cc(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)
InChIKeyYNXKKKGYVKPVTH-UHFFFAOYSA-N
XLogP4.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.34
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-(2-methoxyethyl)indolizine-1-carboxamide?
The IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide (CID 118693034) is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide is COCCc1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccn12.
What is the InChIKey of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide?
The InChIKey is YNXKKKGYVKPVTH-UHFFFAOYSA-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).
What are the key properties of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide?
8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide has a molecular weight of 384.85 g/mol, XLogP of 4.34, 6 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-methoxyethyl)indolizine-1-carboxamide is sourced from PubChem (CID 118693034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).