N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide

C12H14F3NO2 — CID 154512800

IUPACN-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-8(18)16-11(7-17)6-9-3-2-4-10(5-9)12(13,14)15/h2-5,11,17H,6-7H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyINLIBEYWFWWYGN-NSHDSACASA-N
MW261.24 g/mol
LogP1.74
Rot. Bonds4

About N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide

N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide (PubChem CID 154512800) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
PubChem CID154512800
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-8(18)16-11(7-17)6-9-3-2-4-10(5-9)12(13,14)15/h2-5,11,17H,6-7H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyINLIBEYWFWWYGN-NSHDSACASA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103919761
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
acetic acid;[3-(trifluoromethyl)phenyl]methanol
CID 71340400
(2S)-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 70500671
acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol
CID 23622748
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
(2R)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 70396807
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
methyl 3-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 43405710

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide (CID 154512800) is N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide is CC(=O)N[C@H](CO)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
The InChIKey is INLIBEYWFWWYGN-NSHDSACASA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8(18)16-11(7-17)6-9-3-2-4-10(5-9)12(13,14)15/h2-5,11,17H,6-7H2,1H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide?
N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide has a molecular weight of 261.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 154512800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).