3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione

C30H29F3N4O5 — CID 178002923

About 3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione

3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione (PubChem CID 178002923) has the molecular formula C30H29F3N4O5 and a molecular weight of 582.58 g/mol. Its IUPAC name is 3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione.

Molecular Properties

• Compound Name: 3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
• PubChem CID: 178002923
• Molecular Formula: C30H29F3N4O5
• Molecular Weight: 582.58 g/mol
• Exact Mass: 582.21
• IUPAC Name: 3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
• SMILES: CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2CCC3.NC(=O)C12CC(N)(C1)C2(F)F
• InChI: InChI=1S/C24H21FN2O4.C6H8F2N2O/c1-3-24(30)16-7-19-21-14(9-27(19)22(28)15(16)10-31-23(24)29)13-6-4-5-12-11(2)17(25)8-18(26-21)20(12)13;7-6(8)4(3(9)11)1-5(6,10)2-4/h7-8,30H,3-6,9-10H2,1-2H3;1-2,10H2,(H2,9,11)
• InChIKey: HSLHSMRIPJXLDF-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 150.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.58
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione?

The IUPAC name of 3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione (CID 178002923) is 3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione.

What is the SMILES notation for 3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione?

The canonical SMILES for 3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione is CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2CCC3.NC(=O)C12CC(N)(C1)C2(F)F.

What is the InChIKey of 3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione?

The InChIKey is HSLHSMRIPJXLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4.C6H8F2N2O/c1-3-24(30)16-7-19-21-14(9-27(19)22(28)15(16)10-31-23(24)29)13-6-4-5-12-11(2)17(25)8-18(26-21)20(12)13;7-6(8)4(3(9)11)1-5(6,10)2-4/h7-8,30H,3-6,9-10H2,1-2H3;1-2,10H2,(H2,9,11).

What are the key properties of 3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione?

3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione has a molecular weight of 582.58 g/mol, XLogP of 2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2,2-difluorobicyclo[1.1.1]pentane-1-carboxamide;10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione is sourced from PubChem (CID 178002923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).