N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H15F3N2O3 — CID 99999937

IUPACN-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@](O)(CNC(=O)c1ccc(C(F)(F)F)nc1)c1cc2ccccc2o1
InChIInChI=1S/C18H15F3N2O3/c1-17(25,15-8-11-4-2-3-5-13(11)26-15)10-23-16(24)12-6-7-14(22-9-12)18(19,20)21/h2-9,25H,10H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyXMUZNUQZYQOTOS-QGZVFWFLSA-N
MW364.32 g/mol
LogP3.48
Rot. Bonds4

About N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 99999937) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID99999937
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC NameN-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@](O)(CNC(=O)c1ccc(C(F)(F)F)nc1)c1cc2ccccc2o1
InChIInChI=1S/C18H15F3N2O3/c1-17(25,15-8-11-4-2-3-5-13(11)26-15)10-23-16(24)12-6-7-14(22-9-12)18(19,20)21/h2-9,25H,10H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyXMUZNUQZYQOTOS-QGZVFWFLSA-N
XLogP3.48
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999453
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999455
N-[2-(1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86813146
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide
CID 86267113
N-[(2R)-2-benzyl-3-hydroxy-2-methylpropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124844932
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 99999920
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 86267084
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 99999809
2-ethyl-2-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 120533315
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
CID 129416771
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 129417632
2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 99999937) is N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide is C[C@@](O)(CNC(=O)c1ccc(C(F)(F)F)nc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XMUZNUQZYQOTOS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-17(25,15-8-11-4-2-3-5-13(11)26-15)10-23-16(24)12-6-7-14(22-9-12)18(19,20)21/h2-9,25H,10H2,1H3,(H,23,24)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 364.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 99999937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).