(2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C22H19F7N2O4 — CID 156535745

About (2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

(2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 156535745) has the molecular formula C22H19F7N2O4 and a molecular weight of 508.39 g/mol. Its IUPAC name is (2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
• PubChem CID: 156535745
• Molecular Formula: C22H19F7N2O4
• Molecular Weight: 508.39 g/mol
• Exact Mass: 508.12
• IUPAC Name: (2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
• SMILES: C[C@H]1[C@@H](c2ccc(F)cc2OC(F)F)[C@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)O[C@]1(C)C(F)(F)F
• InChI: InChI=1S/C22H19F7N2O4/c1-9-16(12-5-3-10(23)7-15(12)34-20(25)26)17(35-21(9,2)22(27,28)29)19(33)31-11-4-6-14(24)13(8-11)18(30)32/h3-9,16-17,20H,1-2H3,(H2,30,32)(H,31,33)/t9-,16-,17+,21-/m0/s1
• InChIKey: BKBAVRILDDTEIS-NLLRVHFFSA-N
• XLogP: 4.74
• TPSA: 90.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.39
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?

The IUPAC name of (2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 156535745) is (2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

What is the SMILES notation for (2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?

The canonical SMILES for (2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is C[C@H]1[C@@H](c2ccc(F)cc2OC(F)F)[C@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)O[C@]1(C)C(F)(F)F.

What is the InChIKey of (2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?

The InChIKey is BKBAVRILDDTEIS-NLLRVHFFSA-N. The full InChI is InChI=1S/C22H19F7N2O4/c1-9-16(12-5-3-10(23)7-15(12)34-20(25)26)17(35-21(9,2)22(27,28)29)19(33)31-11-4-6-14(24)13(8-11)18(30)32/h3-9,16-17,20H,1-2H3,(H2,30,32)(H,31,33)/t9-,16-,17+,21-/m0/s1.

What are the key properties of (2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?

(2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 508.39 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5S)-N-(3-carbamoyl-4-fluorophenyl)-3-[2-(difluoromethoxy)-4-fluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 156535745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).