N-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H16F3NO2 — CID 2228882

IUPACN-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)16-9-5-4-8-15(16)17-10-11-18(26-17)19(25)24-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,24,25)
InChIKeyQJNNMRVUMHYHGV-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.94
Rot. Bonds5

About N-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide

N-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 2228882) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID2228882
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC NameN-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)16-9-5-4-8-15(16)17-10-11-18(26-17)19(25)24-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,24,25)
InChIKeyQJNNMRVUMHYHGV-UHFFFAOYSA-N
XLogP4.94
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 2228882) is N-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(NCCc1ccccc1)c1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of N-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is QJNNMRVUMHYHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2/c21-20(22,23)16-9-5-4-8-15(16)17-10-11-18(26-17)19(25)24-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,24,25).
What are the key properties of N-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 2228882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).