N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C13H16F3NO2 — CID 103919761

IUPACN-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC[C@H](CO)NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-2-11(8-18)17-12(19)7-9-4-3-5-10(6-9)13(14,15)16/h3-6,11,18H,2,7-8H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyFHCHWBVSTUEWJU-LLVKDONJSA-N
MW275.27 g/mol
LogP2.13
Rot. Bonds5

About N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 103919761) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID103919761
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC[C@H](CO)NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-2-11(8-18)17-12(19)7-9-4-3-5-10(6-9)13(14,15)16/h3-6,11,18H,2,7-8H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyFHCHWBVSTUEWJU-LLVKDONJSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
methyl 3-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 43405710
N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119588010
N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 154512800
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103799111
3-[[2-(3-methoxyphenyl)acetyl]amino]-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 67361234
3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 43238852
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013
N-[3-(hydroxymethyl)pentan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 62520655
2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 62697267

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 103919761) is N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is CC[C@H](CO)NC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FHCHWBVSTUEWJU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-2-11(8-18)17-12(19)7-9-4-3-5-10(6-9)13(14,15)16/h3-6,11,18H,2,7-8H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 275.27 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 103919761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).