(1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

C24H24F2N4O6 — CID 169314442

About (1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

(1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (PubChem CID 169314442) has the molecular formula C24H24F2N4O6 and a molecular weight of 502.47 g/mol. Its IUPAC name is (1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

Molecular Properties

• Compound Name: (1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
• PubChem CID: 169314442
• Molecular Formula: C24H24F2N4O6
• Molecular Weight: 502.47 g/mol
• Exact Mass: 502.17
• IUPAC Name: (1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
• SMILES: CCC1=NO[C@@]2(CC[C@H](C)N3C[C@H]2n2cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c2C3=O)O1
• InChI: InChI=1S/C24H24F2N4O6/c1-3-18-28-36-24(35-18)7-6-12(2)29-11-17(24)30-10-15(20(31)21(32)19(30)23(29)34)22(33)27-9-13-4-5-14(25)8-16(13)26/h4-5,8,10,12,17,32H,3,6-7,9,11H2,1-2H3,(H,27,33)/t12-,17+,24+/m0/s1
• InChIKey: UCKJMEPULNNXOZ-PCJQFBCGSA-N
• XLogP: 2.41
• TPSA: 122.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.47
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

The IUPAC name of (1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (CID 169314442) is (1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

What is the SMILES notation for (1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

The canonical SMILES for (1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is CCC1=NO[C@@]2(CC[C@H](C)N3C[C@H]2n2cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c2C3=O)O1.

What is the InChIKey of (1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

The InChIKey is UCKJMEPULNNXOZ-PCJQFBCGSA-N. The full InChI is InChI=1S/C24H24F2N4O6/c1-3-18-28-36-24(35-18)7-6-12(2)29-11-17(24)30-10-15(20(31)21(32)19(30)23(29)34)22(33)27-9-13-4-5-14(25)8-16(13)26/h4-5,8,10,12,17,32H,3,6-7,9,11H2,1-2H3,(H,27,33)/t12-,17+,24+/m0/s1.

What are the key properties of (1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?

(1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide has a molecular weight of 502.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is sourced from PubChem (CID 169314442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).