3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide

C18H15F3N2O2 — CID 42515942

IUPAC3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N[C@@H](c3cccnc3)C(F)(F)F)c(C)c2c1
InChIInChI=1S/C18H15F3N2O2/c1-10-5-6-14-13(8-10)11(2)15(25-14)17(24)23-16(18(19,20)21)12-4-3-7-22-9-12/h3-9,16H,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyQDFMKJIJAILRCF-INIZCTEOSA-N
MW348.32 g/mol
LogP4.48
Rot. Bonds3

About 3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide

3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide (PubChem CID 42515942) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
PubChem CID42515942
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N[C@@H](c3cccnc3)C(F)(F)F)c(C)c2c1
InChIInChI=1S/C18H15F3N2O2/c1-10-5-6-14-13(8-10)11(2)15(25-14)17(24)23-16(18(19,20)21)12-4-3-7-22-9-12/h3-9,16H,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyQDFMKJIJAILRCF-INIZCTEOSA-N
XLogP4.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

3,6,7-trimethyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
CID 29105538
3,6-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
CID 92559635
2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]acetamide
CID 126452314
3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide
CID 42522128
5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
CID 26395325
5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 17489989
4-ethyl-2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide
CID 99946797
4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 74244228
3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 45242404
4-chloro-N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
CID 97433684
2-(ethylamino)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 72895592
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide (CID 42515942) is 3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)N[C@@H](c3cccnc3)C(F)(F)F)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide?
The InChIKey is QDFMKJIJAILRCF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-10-5-6-14-13(8-10)11(2)15(25-14)17(24)23-16(18(19,20)21)12-4-3-7-22-9-12/h3-9,16H,1-2H3,(H,23,24)/t16-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide?
3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide has a molecular weight of 348.32 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42515942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).