2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide

C18H16F3NO2 — CID 133064266

IUPAC2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide
SMILESO=C(NC(c1ccccc1)C(O)/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)17(24)22-16(14-9-5-2-6-10-14)15(23)12-11-13-7-3-1-4-8-13/h1-12,15-16,23H,(H,22,24)/b12-11+
InChIKeyRQTVJZVSQLFCFX-VAWYXSNFSA-N
MW335.33 g/mol
LogP3.48
Rot. Bonds5

About 2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide

2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide (PubChem CID 133064266) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide
PubChem CID133064266
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide
SMILESO=C(NC(c1ccccc1)C(O)/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)17(24)22-16(14-9-5-2-6-10-14)15(23)12-11-13-7-3-1-4-8-13/h1-12,15-16,23H,(H,22,24)/b12-11+
InChIKeyRQTVJZVSQLFCFX-VAWYXSNFSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647917
2-{[(2-Methylphenyl)methyl]amino}-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647918
2-(Benzylamino)-1-phenylethanol
CID 229746
N1,N3-Bis[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethylpropanediamide
CID 24209868
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-isobutylphenyl)cyclohexylamino)butan-2-yl)acetamide
CID 10005029
N-((2S,3R)-1-(3,5-difluorophenyl)-4-(1-(3-ethylphenyl)cyclohexylamino)-3-hydroxybutan-2-yl)acetamide
CID 10366180
N-((2S,3R)-4-(1-(3-(1,1-difluoro-2-methylpropan-2-yl)phenyl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 49831178
N-((2S,3R)-4-(1-(3-((E)-but-2-en-2-yl)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 49862037
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(prop-1-en-2-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide
CID 49862831
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
2-(Benzylamino)-1,2-diphenylethanol
CID 222507
N-methyl-1,2-diphenylethanolamine
CID 99708

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide (CID 133064266) is 2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide is O=C(NC(c1ccccc1)C(O)/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide?
The InChIKey is RQTVJZVSQLFCFX-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)17(24)22-16(14-9-5-2-6-10-14)15(23)12-11-13-7-3-1-4-8-13/h1-12,15-16,23H,(H,22,24)/b12-11+.
What are the key properties of 2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide?
2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide has a molecular weight of 335.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(E)-2-hydroxy-1,4-diphenylbut-3-enyl]acetamide is sourced from PubChem (CID 133064266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).