2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide

C25H31FN2O3 — CID 122484713

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESCOc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)CC2Cc3ccccc3C2)cc1F
InChIInChI=1S/C25H31FN2O3/c1-31-23-9-8-20(15-21(23)26)25(30)22(16-28-10-4-5-11-28)27-24(29)14-17-12-18-6-2-3-7-19(18)13-17/h2-3,6-9,15,17,22,25,30H,4-5,10-14,16H2,1H3,(H,27,29)/t22-,25-/m1/s1
InChIKeyJHUAYTCQDSNBJY-RCZVLFRGSA-N
MW426.53 g/mol
LogP3.25
Rot. Bonds8

About 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide

2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide (PubChem CID 122484713) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide
PubChem CID122484713
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide
SMILESCOc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)CC2Cc3ccccc3C2)cc1F
InChIInChI=1S/C25H31FN2O3/c1-31-23-9-8-20(15-21(23)26)25(30)22(16-28-10-4-5-11-28)27-24(29)14-17-12-18-6-2-3-7-19(18)13-17/h2-3,6-9,15,17,22,25,30H,4-5,10-14,16H2,1H3,(H,27,29)/t22-,25-/m1/s1
InChIKeyJHUAYTCQDSNBJY-RCZVLFRGSA-N
XLogP3.25
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-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-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide (CID 122484713) is 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide is COc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)CC2Cc3ccccc3C2)cc1F.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide?
The InChIKey is JHUAYTCQDSNBJY-RCZVLFRGSA-N. The full InChI is InChI=1S/C25H31FN2O3/c1-31-23-9-8-20(15-21(23)26)25(30)22(16-28-10-4-5-11-28)27-24(29)14-17-12-18-6-2-3-7-19(18)13-17/h2-3,6-9,15,17,22,25,30H,4-5,10-14,16H2,1H3,(H,27,29)/t22-,25-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide?
2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide has a molecular weight of 426.53 g/mol, XLogP of 3.25, 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-(3-fluoro-4-methoxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 122484713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).