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

C24H27F3N2O3 — CID 122484570

IUPACN-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCC1)[C@H](O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H27F3N2O3/c25-24(26,27)32-20-8-6-17(7-9-20)23(31)21(15-29-10-3-11-29)28-22(30)14-16-12-18-4-1-2-5-19(18)13-16/h1-2,4-9,16,21,23,31H,3,10-15H2,(H,28,30)/t21-,23-/m1/s1
InChIKeySATQWNPLTDPCKA-FYYLOGMGSA-N
MW448.49 g/mol
LogP3.61
Rot. Bonds8

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

N-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide (PubChem CID 122484570) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide
PubChem CID122484570
Molecular FormulaC24H27F3N2O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC NameN-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCC1)[C@H](O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H27F3N2O3/c25-24(26,27)32-20-8-6-17(7-9-20)23(31)21(15-29-10-3-11-29)28-22(30)14-16-12-18-4-1-2-5-19(18)13-16/h1-2,4-9,16,21,23,31H,3,10-15H2,(H,28,30)/t21-,23-/m1/s1
InChIKeySATQWNPLTDPCKA-FYYLOGMGSA-N
XLogP3.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The IUPAC name of N-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide (CID 122484570) is N-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide is O=C(CC1Cc2ccccc2C1)N[C@H](CN1CCC1)[C@H](O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The InChIKey is SATQWNPLTDPCKA-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c25-24(26,27)32-20-8-6-17(7-9-20)23(31)21(15-29-10-3-11-29)28-22(30)14-16-12-18-4-1-2-5-19(18)13-16/h1-2,4-9,16,21,23,31H,3,10-15H2,(H,28,30)/t21-,23-/m1/s1.
What are the key properties of N-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
N-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide has a molecular weight of 448.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-3-(azetidin-1-yl)-1-hydroxy-1-[4-(trifluoromethoxy)phenyl]propan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide is sourced from PubChem (CID 122484570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).