(2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide

C18H18F3NO2 — CID 138964159

IUPAC(2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide
SMILESO=C(Nc1ccccc1)[C@@](CCO)(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)13-17(11-12-23,14-7-3-1-4-8-14)16(24)22-15-9-5-2-6-10-15/h1-10,23H,11-13H2,(H,22,24)/t17-/m0/s1
InChIKeyHLERYRYTFUTBOC-KRWDZBQOSA-N
MW337.34 g/mol
LogP3.90
Rot. Bonds6

About (2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide

(2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide (PubChem CID 138964159) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is (2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide.

Molecular Properties

Compound Name(2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide
PubChem CID138964159
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name(2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide
SMILESO=C(Nc1ccccc1)[C@@](CCO)(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)13-17(11-12-23,14-7-3-1-4-8-14)16(24)22-15-9-5-2-6-10-15/h1-10,23H,11-13H2,(H,22,24)/t17-/m0/s1
InChIKeyHLERYRYTFUTBOC-KRWDZBQOSA-N
XLogP3.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide?
The IUPAC name of (2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide (CID 138964159) is (2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide.
What is the SMILES notation for (2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide?
The canonical SMILES for (2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide is O=C(Nc1ccccc1)[C@@](CCO)(CC(F)(F)F)c1ccccc1.
What is the InChIKey of (2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide?
The InChIKey is HLERYRYTFUTBOC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18F3NO2/c19-18(20,21)13-17(11-12-23,14-7-3-1-4-8-14)16(24)22-15-9-5-2-6-10-15/h1-10,23H,11-13H2,(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide?
(2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide has a molecular weight of 337.34 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide is sourced from PubChem (CID 138964159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).