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

C25H29F3N2O3 — CID 122484534

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[3-(trifluoromethoxy)phenyl]propan-2-yl]acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C25H29F3N2O3/c26-25(27,28)33-21-9-5-8-20(15-21)24(32)22(16-30-10-3-4-11-30)29-23(31)14-17-12-18-6-1-2-7-19(18)13-17/h1-2,5-9,15,17,22,24,32H,3-4,10-14,16H2,(H,29,31)/t22-,24-/m1/s1
InChIKeyJYWMJEOUPTTYLV-ISKFKSNPSA-N
MW462.51 g/mol
LogP4.00
Rot. Bonds8

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

2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[3-(trifluoromethoxy)phenyl]propan-2-yl]acetamide (PubChem CID 122484534) has the molecular formula C25H29F3N2O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[3-(trifluoromethoxy)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-[3-(trifluoromethoxy)phenyl]propan-2-yl]acetamide
PubChem CID122484534
Molecular FormulaC25H29F3N2O3
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[3-(trifluoromethoxy)phenyl]propan-2-yl]acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C25H29F3N2O3/c26-25(27,28)33-21-9-5-8-20(15-21)24(32)22(16-30-10-3-4-11-30)29-23(31)14-17-12-18-6-1-2-7-19(18)13-17/h1-2,5-9,15,17,22,24,32H,3-4,10-14,16H2,(H,29,31)/t22-,24-/m1/s1
InChIKeyJYWMJEOUPTTYLV-ISKFKSNPSA-N
XLogP4.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-[3-(trifluoromethoxy)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-[3-(trifluoromethoxy)phenyl]propan-2-yl]acetamide (CID 122484534) is 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[3-(trifluoromethoxy)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-[3-(trifluoromethoxy)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-[3-(trifluoromethoxy)phenyl]propan-2-yl]acetamide is O=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[3-(trifluoromethoxy)phenyl]propan-2-yl]acetamide?
The InChIKey is JYWMJEOUPTTYLV-ISKFKSNPSA-N. The full InChI is InChI=1S/C25H29F3N2O3/c26-25(27,28)33-21-9-5-8-20(15-21)24(32)22(16-30-10-3-4-11-30)29-23(31)14-17-12-18-6-1-2-7-19(18)13-17/h1-2,5-9,15,17,22,24,32H,3-4,10-14,16H2,(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-[3-(trifluoromethoxy)phenyl]propan-2-yl]acetamide?
2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[3-(trifluoromethoxy)phenyl]propan-2-yl]acetamide has a molecular weight of 462.51 g/mol, XLogP of 4.00, 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)-1-hydroxy-3-pyrrolidin-1-yl-1-[3-(trifluoromethoxy)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 122484534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).