N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide

C22H15F3N2O3 — CID 162763895

IUPACN-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1
InChIInChI=1S/C22H15F3N2O3/c23-22(24,25)13-29-18-9-2-1-7-16(18)17-8-3-5-14-11-19(30-20(14)17)21(28)27-15-6-4-10-26-12-15/h1-12H,13H2,(H,27,28)
InChIKeyASGMPZRJJIJFIW-UHFFFAOYSA-N
MW412.37 g/mol
LogP5.69
Rot. Bonds5

About N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide

N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 162763895) has the molecular formula C22H15F3N2O3 and a molecular weight of 412.37 g/mol. Its IUPAC name is N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
PubChem CID162763895
Molecular FormulaC22H15F3N2O3
Molecular Weight412.37 g/mol
Exact Mass412.10
IUPAC NameN-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccnc1)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1
InChIInChI=1S/C22H15F3N2O3/c23-22(24,25)13-29-18-9-2-1-7-16(18)17-8-3-5-14-11-19(30-20(14)17)21(28)27-15-6-4-10-26-12-15/h1-12H,13H2,(H,27,28)
InChIKeyASGMPZRJJIJFIW-UHFFFAOYSA-N
XLogP5.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.37
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-fluoro-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxylate
CID 162763852
7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46763363
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 75414453
5-(naphthalen-2-yloxymethyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 717197
5-bromo-N-[3-[[2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55776153
N-pyridin-3-ylfuro[3,2-b]pyridine-2-carboxamide
CID 16906874
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
7-fluoro-N-(1H-pyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 166214682
7-ethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888778
N-pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 59607236
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide (CID 162763895) is N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1cccnc1)c1cc2cccc(-c3ccccc3OCC(F)(F)F)c2o1.
What is the InChIKey of N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is ASGMPZRJJIJFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O3/c23-22(24,25)13-29-18-9-2-1-7-16(18)17-8-3-5-14-11-19(30-20(14)17)21(28)27-15-6-4-10-26-12-15/h1-12H,13H2,(H,27,28).
What are the key properties of N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 412.37 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 162763895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).