8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one

C82H97Cl4F8N5O10 — CID 157287360

IUPAC8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one
SMILESCC1CC(O)(CCC(=O)c2cc(C3CCOC3)n3cccc(Cl)c23)CCC1(F)F.CC1CC(O)(CCC(=O)c2cc(C3CCOCC3)n3cccc(Cl)c23)CCC1(F)F.COCCc1cc(C(=O)CCC2(O)CCC(F)(F)C(C)C2)c2c(Cl)cccn12.O=C(NCC1CCC(F)(F)CC1)c1ccn2cccc(Cl)c12
InChIInChI=1S/C23H28ClF2NO3.C22H26ClF2NO3.C21H26ClF2NO3.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;1-14-12-21(28,7-8-22(14,24)25)6-4-19(27)16-11-18(15-5-10-29-13-15)26-9-2-3-17(23)20(16)26;1-14-13-20(27,8-9-21(14,23)24)7-5-18(26)16-12-15(6-11-28-2)25-10-3-4-17(22)19(16)25;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;2-3,9,11,14-15,28H,4-8,10,12-13H2,1H3;3-4,10,12,14,27H,5-9,11,13H2,1-2H3;1-2,5,8-9,11H,3-4,6-7,10H2,(H,20,22)
InChIKeyBAJVVYXDECPHRL-UHFFFAOYSA-N
MW1606.50 g/mol
LogP19.96
Rot. Bonds20

About 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one

8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one (PubChem CID 157287360) has the molecular formula C82H97Cl4F8N5O10 and a molecular weight of 1606.50 g/mol. Its IUPAC name is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one
PubChem CID157287360
Molecular FormulaC82H97Cl4F8N5O10
Molecular Weight1606.50 g/mol
Exact Mass1603.59
IUPAC Name8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one
SMILESCC1CC(O)(CCC(=O)c2cc(C3CCOC3)n3cccc(Cl)c23)CCC1(F)F.CC1CC(O)(CCC(=O)c2cc(C3CCOCC3)n3cccc(Cl)c23)CCC1(F)F.COCCc1cc(C(=O)CCC2(O)CCC(F)(F)C(C)C2)c2c(Cl)cccn12.O=C(NCC1CCC(F)(F)CC1)c1ccn2cccc(Cl)c12
InChIInChI=1S/C23H28ClF2NO3.C22H26ClF2NO3.C21H26ClF2NO3.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;1-14-12-21(28,7-8-22(14,24)25)6-4-19(27)16-11-18(15-5-10-29-13-15)26-9-2-3-17(23)20(16)26;1-14-13-20(27,8-9-21(14,23)24)7-5-18(26)16-12-15(6-11-28-2)25-10-3-4-17(22)19(16)25;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;2-3,9,11,14-15,28H,4-8,10,12-13H2,1H3;3-4,10,12,14,27H,5-9,11,13H2,1-2H3;1-2,5,8-9,11H,3-4,6-7,10H2,(H,20,22)
InChIKeyBAJVVYXDECPHRL-UHFFFAOYSA-N
XLogP19.96
TPSA186.33 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms109
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001606.50
LogP ≤ 519.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-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-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one (CID 157287360) is 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-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-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-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-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one is CC1CC(O)(CCC(=O)c2cc(C3CCOC3)n3cccc(Cl)c23)CCC1(F)F.CC1CC(O)(CCC(=O)c2cc(C3CCOCC3)n3cccc(Cl)c23)CCC1(F)F.COCCc1cc(C(=O)CCC2(O)CCC(F)(F)C(C)C2)c2c(Cl)cccn12.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-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one?
The InChIKey is BAJVVYXDECPHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClF2NO3.C22H26ClF2NO3.C21H26ClF2NO3.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;1-14-12-21(28,7-8-22(14,24)25)6-4-19(27)16-11-18(15-5-10-29-13-15)26-9-2-3-17(23)20(16)26;1-14-13-20(27,8-9-21(14,23)24)7-5-18(26)16-12-15(6-11-28-2)25-10-3-4-17(22)19(16)25;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;2-3,9,11,14-15,28H,4-8,10,12-13H2,1H3;3-4,10,12,14,27H,5-9,11,13H2,1-2H3;1-2,5,8-9,11H,3-4,6-7,10H2,(H,20,22).
What are the key properties of 8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one?
8-chloro-N-[(4,4-difluorocyclohexyl)methyl]indolizine-1-carboxamide;1-[8-chloro-3-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one has a molecular weight of 1606.50 g/mol, XLogP of 19.96, 20 rotatable bonds, 4 hydrogen bond donors, and 14 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-(2-methoxyethyl)indolizin-1-yl]-3-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one;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-(4,4-difluoro-1-hydroxy-3-methylcyclohexyl)propan-1-one is sourced from PubChem (CID 157287360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).