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

C20H21ClF2N2O2 — CID 118693027

IUPAC8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide
SMILESO=C(NCC1CCC(F)(F)CC1)c1cc(C2=COCC2)n2cccc(Cl)c12
InChIInChI=1S/C20H21ClF2N2O2/c21-16-2-1-8-25-17(14-5-9-27-12-14)10-15(18(16)25)19(26)24-11-13-3-6-20(22,23)7-4-13/h1-2,8,10,12-13H,3-7,9,11H2,(H,24,26)
InChIKeyIZSHRTTUHQFLIV-UHFFFAOYSA-N
MW394.85 g/mol
LogP4.91
Rot. Bonds4

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

8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide (PubChem CID 118693027) has the molecular formula C20H21ClF2N2O2 and a molecular weight of 394.85 g/mol. Its IUPAC name is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide
PubChem CID118693027
Molecular FormulaC20H21ClF2N2O2
Molecular Weight394.85 g/mol
Exact Mass394.13
IUPAC Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide
SMILESO=C(NCC1CCC(F)(F)CC1)c1cc(C2=COCC2)n2cccc(Cl)c12
InChIInChI=1S/C20H21ClF2N2O2/c21-16-2-1-8-25-17(14-5-9-27-12-14)10-15(18(16)25)19(26)24-11-13-3-6-20(22,23)7-4-13/h1-2,8,10,12-13H,3-7,9,11H2,(H,24,26)
InChIKeyIZSHRTTUHQFLIV-UHFFFAOYSA-N
XLogP4.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.85
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(1-hydroxypropan-2-yl)indolizine-1-carboxamide
CID 118861342
8-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-(oxolan-3-ylmethyl)indolizine-1-carboxamide
CID 118693032
4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide
CID 121393354
8-chloro-N-[(3-methylcyclohexyl)methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
CID 145010883
3-(2-chlorophenyl)-N-[(4,4-difluorocyclohexyl)methyl]-1H-pyrazole-5-carboxamide
CID 138992310
8-chloro-N-[(3,3-difluoroborinan-1-yl)methyl]-3-(2-methoxyethyl)indolizine-1-carboxamide
CID 174014228
8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(oxan-4-yl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-(3,3-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-(4,4-difluorocyclohexyl)propan-1-one;1-[8-chloro-3-(oxolan-3-yl)indolizin-1-yl]-3-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]propan-1-one
CID 157081558
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
7-chloro-N-(cycloheptylmethyl)-1-methylindole-3-carboxamide
CID 58011401
N-[(4,4-difluorocyclohexyl)methyl]-4-oxochromene-2-carboxamide
CID 139328053
8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
CID 118693097
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide?
The IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide (CID 118693027) is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide.
What is the SMILES notation for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide?
The canonical SMILES for 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide is O=C(NCC1CCC(F)(F)CC1)c1cc(C2=COCC2)n2cccc(Cl)c12.
What is the InChIKey of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide?
The InChIKey is IZSHRTTUHQFLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N2O2/c21-16-2-1-8-25-17(14-5-9-27-12-14)10-15(18(16)25)19(26)24-11-13-3-6-20(22,23)7-4-13/h1-2,8,10,12-13H,3-7,9,11H2,(H,24,26).
What are the key properties of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide?
8-chloro-N-[(4,4-difluorocyclohexyl)methyl]-3-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide has a molecular weight of 394.85 g/mol, XLogP of 4.91, 4 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-(2,3-dihydrofuran-4-yl)indolizine-1-carboxamide is sourced from PubChem (CID 118693027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).