N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide

C20H16F8N4O3 — CID 138598272

About N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide

N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 138598272) has the molecular formula C20H16F8N4O3 and a molecular weight of 512.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide
• PubChem CID: 138598272
• Molecular Formula: C20H16F8N4O3
• Molecular Weight: 512.36 g/mol
• Exact Mass: 512.11
• IUPAC Name: N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide
• SMILES: O=C1c2cc(-c3nnc(C(F)F)o3)ccc2CN1[C@@H]1CC(F)(F)CC[C@H]1NC(=O)C(F)(F)C(F)F
• InChI: InChI=1S/C20H16F8N4O3/c21-13(22)15-31-30-14(35-15)8-1-2-9-7-32(16(33)10(9)5-8)12-6-19(25,26)4-3-11(12)29-18(34)20(27,28)17(23)24/h1-2,5,11-13,17H,3-4,6-7H2,(H,29,34)/t11-,12-/m1/s1
• InChIKey: XVRBVHXSWFZDDH-VXGBXAGGSA-N
• XLogP: 4.20
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.36
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide?

The IUPAC name of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide (CID 138598272) is N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide.

What is the SMILES notation for N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide?

The canonical SMILES for N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide is O=C1c2cc(-c3nnc(C(F)F)o3)ccc2CN1[C@@H]1CC(F)(F)CC[C@H]1NC(=O)C(F)(F)C(F)F.

What is the InChIKey of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide?

The InChIKey is XVRBVHXSWFZDDH-VXGBXAGGSA-N. The full InChI is InChI=1S/C20H16F8N4O3/c21-13(22)15-31-30-14(35-15)8-1-2-9-7-32(16(33)10(9)5-8)12-6-19(25,26)4-3-11(12)29-18(34)20(27,28)17(23)24/h1-2,5,11-13,17H,3-4,6-7H2,(H,29,34)/t11-,12-/m1/s1.

What are the key properties of N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide?

N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 512.36 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-oxo-1H-isoindol-2-yl]-4,4-difluorocyclohexyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 138598272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).