N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide

C18H13F3N2O2 — CID 121197015

IUPACN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1cncc(-c2ccco2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)15-5-3-13(4-6-15)17(24)23-10-12-8-14(11-22-9-12)16-2-1-7-25-16/h1-9,11H,10H2,(H,23,24)
InChIKeyAAAJDRSUWUJSPT-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.29
Rot. Bonds4

About N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 121197015) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID121197015
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1cncc(-c2ccco2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)15-5-3-13(4-6-15)17(24)23-10-12-8-14(11-22-9-12)16-2-1-7-25-16/h1-9,11H,10H2,(H,23,24)
InChIKeyAAAJDRSUWUJSPT-UHFFFAOYSA-N
XLogP4.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
CID 121197008
2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197121
3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
CID 121197182
4-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 119105467
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 121022690
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 121197199
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 121197126
5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197085
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 121196995
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
CID 121197083
2-ethylsulfanyl-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197010
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 121197168

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide (CID 121197015) is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide is O=C(NCc1cncc(-c2ccco2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is AAAJDRSUWUJSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c19-18(20,21)15-5-3-13(4-6-15)17(24)23-10-12-8-14(11-22-9-12)16-2-1-7-25-16/h1-9,11H,10H2,(H,23,24).
What are the key properties of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide?
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 346.31 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 121197015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).