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

C19H21ClF2N2O3 — CID 118858378

IUPAC8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide
SMILESO=C(NCC1CCC(F)(F)CC1)c1cc(C2(O)COC2)n2cccc(Cl)c12
InChIInChI=1S/C19H21ClF2N2O3/c20-14-2-1-7-24-15(18(26)10-27-11-18)8-13(16(14)24)17(25)23-9-12-3-5-19(21,22)6-4-12/h1-2,7-8,12,26H,3-6,9-11H2,(H,23,25)
InChIKeyUCSHVTAUCOZBAF-UHFFFAOYSA-N
MW398.84 g/mol
LogP3.37
Rot. Bonds4

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

8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide (PubChem CID 118858378) has the molecular formula C19H21ClF2N2O3 and a molecular weight of 398.84 g/mol. Its IUPAC name is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide
PubChem CID118858378
Molecular FormulaC19H21ClF2N2O3
Molecular Weight398.84 g/mol
Exact Mass398.12
IUPAC Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide
SMILESO=C(NCC1CCC(F)(F)CC1)c1cc(C2(O)COC2)n2cccc(Cl)c12
InChIInChI=1S/C19H21ClF2N2O3/c20-14-2-1-7-24-15(18(26)10-27-11-18)8-13(16(14)24)17(25)23-9-12-3-5-19(21,22)6-4-12/h1-2,7-8,12,26H,3-6,9-11H2,(H,23,25)
InChIKeyUCSHVTAUCOZBAF-UHFFFAOYSA-N
XLogP3.37
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide?
The IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide (CID 118858378) is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide is O=C(NCC1CCC(F)(F)CC1)c1cc(C2(O)COC2)n2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide?
The InChIKey is UCSHVTAUCOZBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2N2O3/c20-14-2-1-7-24-15(18(26)10-27-11-18)8-13(16(14)24)17(25)23-9-12-3-5-19(21,22)6-4-12/h1-2,7-8,12,26H,3-6,9-11H2,(H,23,25).
What are the key properties of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide?
8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide has a molecular weight of 398.84 g/mol, XLogP of 3.37, 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-difluorocyclohexyl)methyl]-3-(3-hydroxyoxetan-3-yl)indolizine-1-carboxamide is sourced from PubChem (CID 118858378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).