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

C21H25ClF2N2O3 — CID 118693032

IUPAC8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide
SMILESO=C(NCC1(O)CCC(F)(F)CC1)c1cc(CC2CCOC2)n2cccc(Cl)c12
InChIInChI=1S/C21H25ClF2N2O3/c22-17-2-1-8-26-15(10-14-3-9-29-12-14)11-16(18(17)26)19(27)25-13-20(28)4-6-21(23,24)7-5-20/h1-2,8,11,14,28H,3-7,9-10,12-13H2,(H,25,27)
InChIKeyMSEUUIDPANBOKG-UHFFFAOYSA-N
MW426.89 g/mol
LogP3.84
Rot. Bonds5

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

8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide (PubChem CID 118693032) has the molecular formula C21H25ClF2N2O3 and a molecular weight of 426.89 g/mol. Its IUPAC name is 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide
PubChem CID118693032
Molecular FormulaC21H25ClF2N2O3
Molecular Weight426.89 g/mol
Exact Mass426.15
IUPAC Name8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide
SMILESO=C(NCC1(O)CCC(F)(F)CC1)c1cc(CC2CCOC2)n2cccc(Cl)c12
InChIInChI=1S/C21H25ClF2N2O3/c22-17-2-1-8-26-15(10-14-3-9-29-12-14)11-16(18(17)26)19(27)25-13-20(28)4-6-21(23,24)7-5-20/h1-2,8,11,14,28H,3-7,9-10,12-13H2,(H,25,27)
InChIKeyMSEUUIDPANBOKG-UHFFFAOYSA-N
XLogP3.84
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 53.84
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-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide?
The IUPAC name of 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide (CID 118693032) is 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide is O=C(NCC1(O)CCC(F)(F)CC1)c1cc(CC2CCOC2)n2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide?
The InChIKey is MSEUUIDPANBOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClF2N2O3/c22-17-2-1-8-26-15(10-14-3-9-29-12-14)11-16(18(17)26)19(27)25-13-20(28)4-6-21(23,24)7-5-20/h1-2,8,11,14,28H,3-7,9-10,12-13H2,(H,25,27).
What are the key properties of 8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide?
8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide has a molecular weight of 426.89 g/mol, XLogP of 3.84, 5 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-ylmethyl)indolizine-1-carboxamide is sourced from PubChem (CID 118693032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).