N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C28H32F3N3O3 — CID 10391798

About N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 10391798) has the molecular formula C28H32F3N3O3 and a molecular weight of 515.58 g/mol. Its IUPAC name is N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 10391798
• Molecular Formula: C28H32F3N3O3
• Molecular Weight: 515.58 g/mol
• Exact Mass: 515.24
• IUPAC Name: N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
• SMILES: O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN(C2CCC3(CCc4ccccc43)CC2)C[C@@H]1O
• InChI: InChI=1S/C28H32F3N3O3/c29-28(30,31)20-6-3-5-19(14-20)26(37)32-15-25(36)33-23-16-34(17-24(23)35)21-9-12-27(13-10-21)11-8-18-4-1-2-7-22(18)27/h1-7,14,21,23-24,35H,8-13,15-17H2,(H,32,37)(H,33,36)/t21?,23-,24-,27?/m0/s1
• InChIKey: HJWPRDPILDDGIM-BPJCCPMQSA-N
• XLogP: 3.42
• TPSA: 81.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.58
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 10391798) is N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN(C2CCC3(CCc4ccccc43)CC2)C[C@@H]1O.

What is the InChIKey of N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?

The InChIKey is HJWPRDPILDDGIM-BPJCCPMQSA-N. The full InChI is InChI=1S/C28H32F3N3O3/c29-28(30,31)20-6-3-5-19(14-20)26(37)32-15-25(36)33-23-16-34(17-24(23)35)21-9-12-27(13-10-21)11-8-18-4-1-2-7-22(18)27/h1-7,14,21,23-24,35H,8-13,15-17H2,(H,32,37)(H,33,36)/t21?,23-,24-,27?/m0/s1.

What are the key properties of N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?

N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 515.58 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(3S,4S)-4-hydroxy-1-spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-ylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 10391798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).