(2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide

C21H22F3NO3 — CID 97251720

IUPAC(2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide
SMILESO=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C21H22F3NO3/c22-21(23,24)16-8-10-18(11-9-16)28-13-17(26)12-25-20(27)19(15-6-7-15)14-4-2-1-3-5-14/h1-5,8-11,15,17,19,26H,6-7,12-13H2,(H,25,27)/t17-,19+/m1/s1
InChIKeyFQNBYNQCWUKTSQ-MJGOQNOKSA-N
MW393.41 g/mol
LogP3.76
Rot. Bonds8

About (2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide

(2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide (PubChem CID 97251720) has the molecular formula C21H22F3NO3 and a molecular weight of 393.41 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide
PubChem CID97251720
Molecular FormulaC21H22F3NO3
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Name(2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide
SMILESO=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C21H22F3NO3/c22-21(23,24)16-8-10-18(11-9-16)28-13-17(26)12-25-20(27)19(15-6-7-15)14-4-2-1-3-5-14/h1-5,8-11,15,17,19,26H,6-7,12-13H2,(H,25,27)/t17-,19+/m1/s1
InChIKeyFQNBYNQCWUKTSQ-MJGOQNOKSA-N
XLogP3.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide 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

N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
CID 94678482
1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
CID 110904584
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
CID 60583885
2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride
CID 120590377
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
CID 119751777
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide
CID 94678499
(2R)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
CID 7318514
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-(methylamino)butanamide
CID 119751739
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 119751737
(2S)-N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-2-phenoxypropanamide
CID 7318513

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide (CID 97251720) is (2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide is O=C(NC[C@@H](O)COc1ccc(C(F)(F)F)cc1)[C@@H](c1ccccc1)C1CC1.
What is the InChIKey of (2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide?
The InChIKey is FQNBYNQCWUKTSQ-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H22F3NO3/c22-21(23,24)16-8-10-18(11-9-16)28-13-17(26)12-25-20(27)19(15-6-7-15)14-4-2-1-3-5-14/h1-5,8-11,15,17,19,26H,6-7,12-13H2,(H,25,27)/t17-,19+/m1/s1.
What are the key properties of (2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide?
(2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide has a molecular weight of 393.41 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide is sourced from PubChem (CID 97251720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).