2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide

C25H28F4N2O3 — CID 134192708

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CC[C@@H](F)C1)[C@H](O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H28F4N2O3/c26-20-9-10-31(14-20)15-22(24(33)17-5-7-21(8-6-17)34-25(27,28)29)30-23(32)13-16-11-18-3-1-2-4-19(18)12-16/h1-8,16,20,22,24,33H,9-15H2,(H,30,32)/t20-,22-,24-/m1/s1
InChIKeyXQGRYEPOGAHLFD-KIFXHHALSA-N
MW480.50 g/mol
LogP3.95
Rot. Bonds8

About 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide

2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide (PubChem CID 134192708) has the molecular formula C25H28F4N2O3 and a molecular weight of 480.50 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide
PubChem CID134192708
Molecular FormulaC25H28F4N2O3
Molecular Weight480.50 g/mol
Exact Mass480.20
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CC[C@@H](F)C1)[C@H](O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H28F4N2O3/c26-20-9-10-31(14-20)15-22(24(33)17-5-7-21(8-6-17)34-25(27,28)29)30-23(32)13-16-11-18-3-1-2-4-19(18)12-16/h1-8,16,20,22,24,33H,9-15H2,(H,30,32)/t20-,22-,24-/m1/s1
InChIKeyXQGRYEPOGAHLFD-KIFXHHALSA-N
XLogP3.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide (CID 134192708) is 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide is O=C(CC1Cc2ccccc2C1)N[C@H](CN1CC[C@@H](F)C1)[C@H](O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide?
The InChIKey is XQGRYEPOGAHLFD-KIFXHHALSA-N. The full InChI is InChI=1S/C25H28F4N2O3/c26-20-9-10-31(14-20)15-22(24(33)17-5-7-21(8-6-17)34-25(27,28)29)30-23(32)13-16-11-18-3-1-2-4-19(18)12-16/h1-8,16,20,22,24,33H,9-15H2,(H,30,32)/t20-,22-,24-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide?
2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide has a molecular weight of 480.50 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 134192708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).