2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide

C18H19F3N2O2 — CID 120589464

IUPAC2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
SMILESCC(N)(C(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H19F3N2O2/c1-17(22,13-6-3-2-4-7-13)16(24)23-10-11-25-15-9-5-8-14(12-15)18(19,20)21/h2-9,12H,10-11,22H2,1H3,(H,23,24)
InChIKeySOOHAPHCMONJMT-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.07
Rot. Bonds6

About 2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide

2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide (PubChem CID 120589464) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
PubChem CID120589464
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
SMILESCC(N)(C(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H19F3N2O2/c1-17(22,13-6-3-2-4-7-13)16(24)23-10-11-25-15-9-5-8-14(12-15)18(19,20)21/h2-9,12H,10-11,22H2,1H3,(H,23,24)
InChIKeySOOHAPHCMONJMT-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 120589463
(2S)-2-amino-3,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 119736716
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
(2S)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296638
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 85462760
3-amino-2-methyl-3-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119736709
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659
2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
CID 120589403
2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119736730
2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide
CID 166323733
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
2-[methyl-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]amino]propanoic acid
CID 119912627

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide?
The IUPAC name of 2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide (CID 120589464) is 2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide.
What is the SMILES notation for 2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide?
The canonical SMILES for 2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide is CC(N)(C(=O)NCCOc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide?
The InChIKey is SOOHAPHCMONJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-17(22,13-6-3-2-4-7-13)16(24)23-10-11-25-15-9-5-8-14(12-15)18(19,20)21/h2-9,12H,10-11,22H2,1H3,(H,23,24).
What are the key properties of 2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide?
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide has a molecular weight of 352.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide is sourced from PubChem (CID 120589464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).