N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide

C19H15F3N2O3 — CID 47061689

IUPACN-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccco1)c1cccc(Cn2cccc(C(F)(F)F)c2=O)c1
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)16-7-2-8-24(18(16)26)12-13-4-1-5-14(10-13)17(25)23-11-15-6-3-9-27-15/h1-10H,11-12H2,(H,23,25)
InChIKeyAWTBIBQIQIFTMI-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.44
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide

N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide (PubChem CID 47061689) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
PubChem CID47061689
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC NameN-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccco1)c1cccc(Cn2cccc(C(F)(F)F)c2=O)c1
InChIInChI=1S/C19H15F3N2O3/c20-19(21,22)16-7-2-8-24(18(16)26)12-13-4-1-5-14(10-13)17(25)23-11-15-6-3-9-27-15/h1-10H,11-12H2,(H,23,25)
InChIKeyAWTBIBQIQIFTMI-UHFFFAOYSA-N
XLogP3.44
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 47061690
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
CID 110900329
N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 60529812
3-[[4,5-dimethyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-thiazol-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
CID 71958421
N-(furan-2-ylmethyl)-3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-benzothiazine-6-carboxamide
CID 142502310
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 43921245
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
3-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877392
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide (CID 47061689) is N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide is O=C(NCc1ccco1)c1cccc(Cn2cccc(C(F)(F)F)c2=O)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The InChIKey is AWTBIBQIQIFTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c20-19(21,22)16-7-2-8-24(18(16)26)12-13-4-1-5-14(10-13)17(25)23-11-15-6-3-9-27-15/h1-10H,11-12H2,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide has a molecular weight of 376.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide is sourced from PubChem (CID 47061689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).