2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide

C17H15F4NO2 — CID 124573471

IUPAC2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide
SMILESO=C(Cc1ccc(O)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C17H15F4NO2/c18-13-5-3-12(4-6-13)15(10-17(19,20)21)22-16(24)9-11-1-7-14(23)8-2-11/h1-8,15,23H,9-10H2,(H,22,24)/t15-/m1/s1
InChIKeyPGCTVQQBUWAZMC-OAHLLOKOSA-N
MW341.30 g/mol
LogP3.88
Rot. Bonds5

About 2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide

2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide (PubChem CID 124573471) has the molecular formula C17H15F4NO2 and a molecular weight of 341.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide
PubChem CID124573471
Molecular FormulaC17H15F4NO2
Molecular Weight341.30 g/mol
Exact Mass341.10
IUPAC Name2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide
SMILESO=C(Cc1ccc(O)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C17H15F4NO2/c18-13-5-3-12(4-6-13)15(10-17(19,20)21)22-16(24)9-11-1-7-14(23)8-2-11/h1-8,15,23H,9-10H2,(H,22,24)/t15-/m1/s1
InChIKeyPGCTVQQBUWAZMC-OAHLLOKOSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
CID 119724723
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-hydroxyphenyl)acetamide
CID 110004632
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-(4-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945145
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011
N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(4-hydroxyphenyl)acetamide
CID 75380343
N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine
CID 43488899
N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 97331214
3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide
CID 122157931
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide
CID 75508909
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide (CID 124573471) is 2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide is O=C(Cc1ccc(O)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide?
The InChIKey is PGCTVQQBUWAZMC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15F4NO2/c18-13-5-3-12(4-6-13)15(10-17(19,20)21)22-16(24)9-11-1-7-14(23)8-2-11/h1-8,15,23H,9-10H2,(H,22,24)/t15-/m1/s1.
What are the key properties of 2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide?
2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide has a molecular weight of 341.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 124573471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).