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

C26H31F3N2O3 — CID 134192688

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-yl]acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C26H31F3N2O3/c27-26(28,29)17-34-22-9-7-19(8-10-22)25(33)23(16-31-11-3-4-12-31)30-24(32)15-18-13-20-5-1-2-6-21(20)14-18/h1-2,5-10,18,23,25,33H,3-4,11-17H2,(H,30,32)/t23-,25-/m1/s1
InChIKeyDXIGMCNRBKQZSS-ILBGXUMGSA-N
MW476.54 g/mol
LogP4.05
Rot. Bonds9

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

2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-yl]acetamide (PubChem CID 134192688) has the molecular formula C26H31F3N2O3 and a molecular weight of 476.54 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-(2,2,2-trifluoroethoxy)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-(2,2,2-trifluoroethoxy)phenyl]propan-2-yl]acetamide
PubChem CID134192688
Molecular FormulaC26H31F3N2O3
Molecular Weight476.54 g/mol
Exact Mass476.23
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-yl]acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C26H31F3N2O3/c27-26(28,29)17-34-22-9-7-19(8-10-22)25(33)23(16-31-11-3-4-12-31)30-24(32)15-18-13-20-5-1-2-6-21(20)14-18/h1-2,5-10,18,23,25,33H,3-4,11-17H2,(H,30,32)/t23-,25-/m1/s1
InChIKeyDXIGMCNRBKQZSS-ILBGXUMGSA-N
XLogP4.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-[[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492699
(5S)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492828
(5R)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492945
US10202340, Example 9
CID 122445037
US10202340, Example 7
CID 122484440
US10202340, Example 14
CID 122484534
US10202340, Example 17
CID 122484570
US10202340, Example 5
CID 122484573
US10202340, Example 1
CID 122484713
US10202340, Example 16
CID 134192708
US10202340, Example 11
CID 122445044
EtDO-PIP2
CID 56965445

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-(2,2,2-trifluoroethoxy)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-(2,2,2-trifluoroethoxy)phenyl]propan-2-yl]acetamide (CID 134192688) is 2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)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-(2,2,2-trifluoroethoxy)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-(2,2,2-trifluoroethoxy)phenyl]propan-2-yl]acetamide is O=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OCC(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-(2,2,2-trifluoroethoxy)phenyl]propan-2-yl]acetamide?
The InChIKey is DXIGMCNRBKQZSS-ILBGXUMGSA-N. The full InChI is InChI=1S/C26H31F3N2O3/c27-26(28,29)17-34-22-9-7-19(8-10-22)25(33)23(16-31-11-3-4-12-31)30-24(32)15-18-13-20-5-1-2-6-21(20)14-18/h1-2,5-10,18,23,25,33H,3-4,11-17H2,(H,30,32)/t23-,25-/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-(2,2,2-trifluoroethoxy)phenyl]propan-2-yl]acetamide?
2-(2,3-dihydro-1H-inden-2-yl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-yl]acetamide has a molecular weight of 476.54 g/mol, XLogP of 4.05, 9 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-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 134192688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).