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

C103H121Cl5F8N6O11 — CID 157081558

About 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

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 (PubChem CID 157081558) has the molecular formula C103H121Cl5F8N6O11 and a molecular weight of 1948.38 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157081558
• Molecular Formula: C103H121Cl5F8N6O11
• Molecular Weight: 1948.38 g/mol
• Exact Mass: 1944.74
• IUPAC Name: 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
• SMILES: CC1CC(O)(CCC(=O)c2cc(C3CCOCC3)n3cccc(Cl)c23)CCC1(F)F.C[C@@H]1CCC[C@](O)(CCC(=O)c2cc(C3CCOC3)n3cccc(Cl)c23)C1.O=C(CCC1CCC(F)(F)CC1)c1cc(C2CCOC2)n2cccc(Cl)c12.O=C(CCC1CCCC(F)(F)C1)c1cc(C2CCOC2)n2cccc(Cl)c12.O=C(NCC1CCC(F)(F)CC1)c1ccn2cccc(Cl)c12
• InChI: InChI=1S/C23H28ClF2NO3.C22H28ClNO3.2C21H24ClF2NO2.C16H17ClF2N2O/c1-15-14-22(29,8-9-23(15,25)26)7-4-20(28)17-13-19(16-5-11-30-12-6-16)27-10-2-3-18(24)21(17)27;1-15-4-2-8-22(26,13-15)9-6-20(25)17-12-19(16-7-11-27-14-16)24-10-3-5-18(23)21(17)24;22-17-4-2-9-25-18(15-7-10-27-13-15)11-16(20(17)25)19(26)6-5-14-3-1-8-21(23,24)12-14;22-17-2-1-10-25-18(15-7-11-27-13-15)12-16(20(17)25)19(26)4-3-14-5-8-21(23,24)9-6-14;17-13-2-1-8-21-9-5-12(14(13)21)15(22)20-10-11-3-6-16(18,19)7-4-11/h2-3,10,13,15-16,29H,4-9,11-12,14H2,1H3;3,5,10,12,15-16,26H,2,4,6-9,11,13-14H2,1H3;2,4,9,11,14-15H,1,3,5-8,10,12-13H2;1-2,10,12,14-15H,3-9,11,13H2;1-2,5,8-9,11H,3-4,6-7,10H2,(H,20,22)/t;15-,16?,22+;;;/m.1.../s1
• InChIKey: ADPJYEMNHFKKRS-XZRDZTAASA-N
• XLogP: 26.55
• TPSA: 196.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1948.38
LogP ≤ 5	26.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1CC(O)(CCC(=O)c2cc(C3CCOCC3)n3cccc(Cl)c23)CCC1(F)F.C[C@@H]1CCC[C@](O)(CCC(=O)c2cc(C3CCOC3)n3cccc(Cl)c23)C1.O=C(CCC1CCC(F)(F)CC1)c1cc(C2CCOC2)n2cccc(Cl)c12.O=C(CCC1CCCC(F)(F)C1)c1cc(C2CCOC2)n2cccc(Cl)c12.O=C(NCC1CCC(F)(F)CC1)c1ccn2cccc(Cl)c12.

What is the InChIKey of 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?

The InChIKey is ADPJYEMNHFKKRS-XZRDZTAASA-N. The full InChI is InChI=1S/C23H28ClF2NO3.C22H28ClNO3.2C21H24ClF2NO2.C16H17ClF2N2O/c1-15-14-22(29,8-9-23(15,25)26)7-4-20(28)17-13-19(16-5-11-30-12-6-16)27-10-2-3-18(24)21(17)27;1-15-4-2-8-22(26,13-15)9-6-20(25)17-12-19(16-7-11-27-14-16)24-10-3-5-18(23)21(17)24;22-17-4-2-9-25-18(15-7-10-27-13-15)11-16(20(17)25)19(26)6-5-14-3-1-8-21(23,24)12-14;22-17-2-1-10-25-18(15-7-11-27-13-15)12-16(20(17)25)19(26)4-3-14-5-8-21(23,24)9-6-14;17-13-2-1-8-21-9-5-12(14(13)21)15(22)20-10-11-3-6-16(18,19)7-4-11/h2-3,10,13,15-16,29H,4-9,11-12,14H2,1H3;3,5,10,12,15-16,26H,2,4,6-9,11,13-14H2,1H3;2,4,9,11,14-15H,1,3,5-8,10,12-13H2;1-2,10,12,14-15H,3-9,11,13H2;1-2,5,8-9,11H,3-4,6-7,10H2,(H,20,22)/t;15-,16?,22+;;;/m.1.../s1.

What are the key properties of 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?

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 has a molecular weight of 1948.38 g/mol, XLogP of 26.55, 23 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157081558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).