(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide

C17H16F3NO2 — CID 15941659

IUPAC(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide
SMILESC[C@H](C(N)=O)c1ccc(-c2ccc([C@@H](O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO2/c1-10(16(21)23)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(22)17(18,19)20/h2-10,15,22H,1H3,(H2,21,23)/t10-,15+/m0/s1
InChIKeyHAQIPJXKIXROAA-ZUZCIYMTSA-N
MW323.31 g/mol
LogP3.54
Rot. Bonds4

About (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide

(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide (PubChem CID 15941659) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide
PubChem CID15941659
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide
SMILESC[C@H](C(N)=O)c1ccc(-c2ccc([C@@H](O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO2/c1-10(16(21)23)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(22)17(18,19)20/h2-10,15,22H,1H3,(H2,21,23)/t10-,15+/m0/s1
InChIKeyHAQIPJXKIXROAA-ZUZCIYMTSA-N
XLogP3.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide?
The IUPAC name of (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide (CID 15941659) is (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide is C[C@H](C(N)=O)c1ccc(-c2ccc([C@@H](O)C(F)(F)F)cc2)cc1.
What is the InChIKey of (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide?
The InChIKey is HAQIPJXKIXROAA-ZUZCIYMTSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-10(16(21)23)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(22)17(18,19)20/h2-10,15,22H,1H3,(H2,21,23)/t10-,15+/m0/s1.
What are the key properties of (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide?
(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide has a molecular weight of 323.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide is sourced from PubChem (CID 15941659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).