N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide

C15H14F3NO3 — CID 71782573

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide
SMILESCC(O)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C15H14F3NO3/c1-14(21,12-6-3-7-22-12)9-19-13(20)10-4-2-5-11(8-10)15(16,17)18/h2-8,21H,9H2,1H3,(H,19,20)
InChIKeyUOXSCFDSJLSHCF-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide (PubChem CID 71782573) has the molecular formula C15H14F3NO3 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide
PubChem CID71782573
Molecular FormulaC15H14F3NO3
Molecular Weight313.28 g/mol
Exact Mass313.09
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide
SMILESCC(O)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C15H14F3NO3/c1-14(21,12-6-3-7-22-12)9-19-13(20)10-4-2-5-11(8-10)15(16,17)18/h2-8,21H,9H2,1H3,(H,19,20)
InChIKeyUOXSCFDSJLSHCF-UHFFFAOYSA-N
XLogP2.94
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide (CID 71782573) is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide is CC(O)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UOXSCFDSJLSHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3/c1-14(21,12-6-3-7-22-12)9-19-13(20)10-4-2-5-11(8-10)15(16,17)18/h2-8,21H,9H2,1H3,(H,19,20).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide has a molecular weight of 313.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71782573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).