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

C25H29F3N2O2 — CID 122484706

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H29F3N2O2/c26-25(27,28)21-9-7-18(8-10-21)24(32)22(16-30-11-3-4-12-30)29-23(31)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24,32H,3-4,11-16H2,(H,29,31)/t22-,24-/m1/s1
InChIKeyNZPPAJYVNXJNHV-ISKFKSNPSA-N
MW446.51 g/mol
LogP4.12
Rot. Bonds7

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

2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide (PubChem CID 122484706) has the molecular formula C25H29F3N2O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide
PubChem CID122484706
Molecular FormulaC25H29F3N2O2
Molecular Weight446.51 g/mol
Exact Mass446.22
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H29F3N2O2/c26-25(27,28)21-9-7-18(8-10-21)24(32)22(16-30-11-3-4-12-30)29-23(31)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24,32H,3-4,11-16H2,(H,29,31)/t22-,24-/m1/s1
InChIKeyNZPPAJYVNXJNHV-ISKFKSNPSA-N
XLogP4.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)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)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide (CID 122484706) is 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide is O=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The InChIKey is NZPPAJYVNXJNHV-ISKFKSNPSA-N. The full InChI is InChI=1S/C25H29F3N2O2/c26-25(27,28)21-9-7-18(8-10-21)24(32)22(16-30-11-3-4-12-30)29-23(31)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24,32H,3-4,11-16H2,(H,29,31)/t22-,24-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide has a molecular weight of 446.51 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 122484706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).