4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide

C22H18F3NO2 — CID 95367387

IUPAC4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)21(28,19-9-5-2-6-10-19)15-26-20(27)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14,28H,15H2,(H,26,27)/t21-/m1/s1
InChIKeyUSYNXIFFRHDRQA-OAQYLSRUSA-N
MW385.39 g/mol
LogP4.53
Rot. Bonds5

About 4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide

4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide (PubChem CID 95367387) has the molecular formula C22H18F3NO2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide
PubChem CID95367387
Molecular FormulaC22H18F3NO2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)21(28,19-9-5-2-6-10-19)15-26-20(27)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14,28H,15H2,(H,26,27)/t21-/m1/s1
InChIKeyUSYNXIFFRHDRQA-OAQYLSRUSA-N
XLogP4.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[trans-4-(3-Amino-3-Oxopropyl)-4-Phenylcyclohexyl]-N-Cyclopropyl-4-[(1s)-2,2,2-Trifluoro-1-Hydroxy-1-Methylethyl]benzamide
CID 25019309
Cyclohexyl benzamide derivative, 9
CID 15986762
N-[4-(2-carbamoylethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987397
Cyclohexyl benzamide derivative, 12
CID 25263221
Pyrrolidin-1-yl-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]methanone
CID 10132088
N,N-diisobutyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 10200929
Piperidin-1-yl-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]methanone
CID 10269568
N-benzyl-N-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 10271742
(S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide
CID 24895661
2'-Phenethylcarbamoyl-biphenyl-2-carboxylic acid
CID 823506
N-(2-hydroxy-2-phenylethyl)benzamide
CID 458553
2'-(2-Fluoro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431342

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide?
The IUPAC name of 4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide (CID 95367387) is 4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide?
The canonical SMILES for 4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide is O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide?
The InChIKey is USYNXIFFRHDRQA-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H18F3NO2/c23-22(24,25)21(28,19-9-5-2-6-10-19)15-26-20(27)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h1-14,28H,15H2,(H,26,27)/t21-/m1/s1.
What are the key properties of 4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide?
4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide has a molecular weight of 385.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzamide is sourced from PubChem (CID 95367387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).