N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide

C18H14F3NO3 — CID 95367357

IUPACN-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C18H14F3NO3/c19-18(20,21)17(24,13-7-2-1-3-8-13)11-22-16(23)15-10-12-6-4-5-9-14(12)25-15/h1-10,24H,11H2,(H,22,23)/t17-/m1/s1
InChIKeyRJZVQEMSTCRCKX-QGZVFWFLSA-N
MW349.31 g/mol
LogP3.61
Rot. Bonds4

About N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide

N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide (PubChem CID 95367357) has the molecular formula C18H14F3NO3 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide
PubChem CID95367357
Molecular FormulaC18H14F3NO3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC NameN-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C18H14F3NO3/c19-18(20,21)17(24,13-7-2-1-3-8-13)11-22-16(23)15-10-12-6-4-5-9-14(12)25-15/h1-10,24H,11H2,(H,22,23)/t17-/m1/s1
InChIKeyRJZVQEMSTCRCKX-QGZVFWFLSA-N
XLogP3.61
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-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

7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide
CID 56764219
N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide
CID 90599483
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 103839648
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 52907053
N-(4-bromo-2,2-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 106143875
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide
CID 71787283
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 99872573
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497940
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide
CID 90599093

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide (CID 95367357) is N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide is O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cc2ccccc2o1.
What is the InChIKey of N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide?
The InChIKey is RJZVQEMSTCRCKX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14F3NO3/c19-18(20,21)17(24,13-7-2-1-3-8-13)11-22-16(23)15-10-12-6-4-5-9-14(12)25-15/h1-10,24H,11H2,(H,22,23)/t17-/m1/s1.
What are the key properties of N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide?
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide has a molecular weight of 349.31 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95367357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).