2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride

C19H22ClF3N2O3 — CID 120590377

IUPAC2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)NCC(O)COc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl
InChIInChI=1S/C19H21F3N2O3.ClH/c1-18(23,13-5-3-2-4-6-13)17(26)24-11-15(25)12-27-16-9-7-14(8-10-16)19(20,21)22;/h2-10,15,25H,11-12,23H2,1H3,(H,24,26);1H
InChIKeyLGSGQUJBPUCZFV-UHFFFAOYSA-N
MW418.84 g/mol
LogP2.86
Rot. Bonds7

About 2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120590377) has the molecular formula C19H22ClF3N2O3 and a molecular weight of 418.84 g/mol. Its IUPAC name is 2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride
PubChem CID120590377
Molecular FormulaC19H22ClF3N2O3
Molecular Weight418.84 g/mol
Exact Mass418.13
IUPAC Name2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)NCC(O)COc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl
InChIInChI=1S/C19H21F3N2O3.ClH/c1-18(23,13-5-3-2-4-6-13)17(26)24-11-15(25)12-27-16-9-7-14(8-10-16)19(20,21)22;/h2-10,15,25H,11-12,23H2,1H3,(H,24,26);1H
InChIKeyLGSGQUJBPUCZFV-UHFFFAOYSA-N
XLogP2.86
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
CID 119751777
2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
CID 60583885
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
CID 119751688
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-(methylamino)butanamide
CID 119751739
2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 119751737
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide
CID 94678499
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-methylpropanamide
CID 119304994
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
2-amino-N-(2,2-difluoroethyl)-2-phenylpropanamide
CID 115406878
2-amino-N-(2-phenoxypropyl)-2-phenylpropanamide
CID 120589356

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride (CID 120590377) is 2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride is CC(N)(C(=O)NCC(O)COc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is LGSGQUJBPUCZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3.ClH/c1-18(23,13-5-3-2-4-6-13)17(26)24-11-15(25)12-27-16-9-7-14(8-10-16)19(20,21)22;/h2-10,15,25H,11-12,23H2,1H3,(H,24,26);1H.
What are the key properties of 2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 418.84 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120590377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).