N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide

C12H10F3NO3 — CID 103726467

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1coc2ccccc12
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)10(17)5-16-11(18)8-6-19-9-4-2-1-3-7(8)9/h1-4,6,10,17H,5H2,(H,16,18)
InChIKeyPTKYQFJXXIDUQA-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.09
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide

N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide (PubChem CID 103726467) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
PubChem CID103726467
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1coc2ccccc12
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)10(17)5-16-11(18)8-6-19-9-4-2-1-3-7(8)9/h1-4,6,10,17H,5H2,(H,16,18)
InChIKeyPTKYQFJXXIDUQA-UHFFFAOYSA-N
XLogP2.09
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide 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

3-(1-benzofuran-3-carbonylamino)-2-hydroxypropanoic acid
CID 66165805
1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
CID 103726312
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
N-(2-chloropentyl)-1-benzofuran-3-carboxamide
CID 113496475
5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid
CID 82683747
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide
CID 97245650
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 115884333
N-phenacyl-1-benzofuran-3-carboxamide
CID 64991447
2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103820494
2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103730689
N-[[4-(bromomethyl)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 107233737
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide (CID 103726467) is N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide is O=C(NCC(O)C(F)(F)F)c1coc2ccccc12.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide?
The InChIKey is PTKYQFJXXIDUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c13-12(14,15)10(17)5-16-11(18)8-6-19-9-4-2-1-3-7(8)9/h1-4,6,10,17H,5H2,(H,16,18).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide has a molecular weight of 273.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 103726467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).