N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide

C18H14F3NO3 — CID 131701791

IUPACN-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(c1ccco1)c1ccco1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3NO3/c19-18(20,21)14-6-2-1-5-12(14)17(23)22-11-13(15-7-3-9-24-15)16-8-4-10-25-16/h1-10,13H,11H2,(H,22,23)
InChIKeyQECKSQPHJPKJNH-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.45
Rot. Bonds5

About N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide

N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 131701791) has the molecular formula C18H14F3NO3 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID131701791
Molecular FormulaC18H14F3NO3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC NameN-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(c1ccco1)c1ccco1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3NO3/c19-18(20,21)14-6-2-1-5-12(14)17(23)22-11-13(15-7-3-9-24-15)16-8-4-10-25-16/h1-10,13H,11H2,(H,22,23)
InChIKeyQECKSQPHJPKJNH-UHFFFAOYSA-N
XLogP4.45
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium
CID 2449545
1-[2,2-bis(furan-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 131702607
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 4807708
N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 129410835
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
CID 107156990
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 95388210
N-(2-amino-2-cyclopropylethyl)-2-(trifluoromethyl)benzamide
CID 63765171
2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide
CID 163353879
N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 107157383
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide (CID 131701791) is N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide is O=C(NCC(c1ccco1)c1ccco1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is QECKSQPHJPKJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3/c19-18(20,21)14-6-2-1-5-12(14)17(23)22-11-13(15-7-3-9-24-15)16-8-4-10-25-16/h1-10,13H,11H2,(H,22,23).
What are the key properties of N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 349.31 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 131701791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).