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

C12H14F3NO2 — CID 43418851

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

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

N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 43418851) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID43418851
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(CO)NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-8(7-17)16-11(18)6-9-3-2-4-10(5-9)12(13,14)15/h2-5,8,17H,6-7H2,1H3,(H,16,18)
InChIKeyCGEAZKKHMGVMMA-UHFFFAOYSA-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

Analyze N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103919761
methyl 3-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 43405710
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103799111
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 43238852
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119588010
N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 94840300
N-[(1R)-1-naphthalen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8025350
2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 62697267
methyl (2S)-3-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 8010923

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 43418851) is N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is CC(CO)NC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CGEAZKKHMGVMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8(7-17)16-11(18)6-9-3-2-4-10(5-9)12(13,14)15/h2-5,8,17H,6-7H2,1H3,(H,16,18).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]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-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 43418851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).