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

C25H30F2N2O3 — CID 122445037

IUPACN-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C25H30F2N2O3/c26-25(27)32-21-9-7-18(8-10-21)24(31)22(16-29-11-3-4-12-29)28-23(30)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24-25,31H,3-4,11-16H2,(H,28,30)/t22-,24-/m1/s1
InChIKeyHOPKUNGSYGWNDB-ISKFKSNPSA-N
MW444.52 g/mol
LogP3.71
Rot. Bonds9

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

N-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide (PubChem CID 122445037) has the molecular formula C25H30F2N2O3 and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide
PubChem CID122445037
Molecular FormulaC25H30F2N2O3
Molecular Weight444.52 g/mol
Exact Mass444.22
IUPAC NameN-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C25H30F2N2O3/c26-25(27)32-21-9-7-18(8-10-21)24(31)22(16-29-11-3-4-12-29)28-23(30)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24-25,31H,3-4,11-16H2,(H,28,30)/t22-,24-/m1/s1
InChIKeyHOPKUNGSYGWNDB-ISKFKSNPSA-N
XLogP3.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10202340, Example 12
CID 134192688
US10202340, Example 7
CID 122484440
US10202340, Example 14
CID 122484534
US10202340, Example 17
CID 122484570
US10202340, Example 5
CID 122484573
US10202340, Example 8
CID 122484706
US10202340, Example 1
CID 122484713
US10202340, Example 10
CID 134192686
US10202340, Example 16
CID 134192708
US10202340, Example 11
CID 122445044
EtDO-PIP2
CID 56965445
US10202340, Example 2
CID 122484443

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The IUPAC name of N-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide (CID 122445037) is N-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide is O=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The InChIKey is HOPKUNGSYGWNDB-ISKFKSNPSA-N. The full InChI is InChI=1S/C25H30F2N2O3/c26-25(27)32-21-9-7-18(8-10-21)24(31)22(16-29-11-3-4-12-29)28-23(30)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24-25,31H,3-4,11-16H2,(H,28,30)/t22-,24-/m1/s1.
What are the key properties of N-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
N-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide has a molecular weight of 444.52 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-[4-(difluoromethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide is sourced from PubChem (CID 122445037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).