3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride

C19H22ClF3N2O3 — CID 120609837

IUPAC3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O3.ClH/c20-19(21,22)14-5-3-6-16(10-14)27-12-15(25)11-24-18(26)9-8-13-4-1-2-7-17(13)23;/h1-7,10,15,25H,8-9,11-12,23H2,(H,24,26);1H
InChIKeyCVCRXGWQUKOEKZ-UHFFFAOYSA-N
MW418.84 g/mol
LogP3.20
Rot. Bonds8

About 3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride (PubChem CID 120609837) has the molecular formula C19H22ClF3N2O3 and a molecular weight of 418.84 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride
PubChem CID120609837
Molecular FormulaC19H22ClF3N2O3
Molecular Weight418.84 g/mol
Exact Mass418.13
IUPAC Name3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O3.ClH/c20-19(21,22)14-5-3-6-16(10-14)27-12-15(25)11-24-18(26)9-8-13-4-1-2-7-17(13)23;/h1-7,10,15,25H,8-9,11-12,23H2,(H,24,26);1H
InChIKeyCVCRXGWQUKOEKZ-UHFFFAOYSA-N
XLogP3.20
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide
CID 47932543
3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
CID 119950634
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide;hydrochloride
CID 119304969
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
CID 22282753
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
CID 119751688
5-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylbenzamide
CID 120625917
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
CID 47932845

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride (CID 120609837) is 3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)NCC(O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride?
The InChIKey is CVCRXGWQUKOEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3.ClH/c20-19(21,22)14-5-3-6-16(10-14)27-12-15(25)11-24-18(26)9-8-13-4-1-2-7-17(13)23;/h1-7,10,15,25H,8-9,11-12,23H2,(H,24,26);1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride has a molecular weight of 418.84 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride is sourced from PubChem (CID 120609837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).