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

C15H14F3NO3 — CID 71804427

IUPACN-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCC(O)c1ccoc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO3/c16-15(17,18)12-3-1-2-10(8-12)14(21)19-6-4-13(20)11-5-7-22-9-11/h1-3,5,7-9,13,20H,4,6H2,(H,19,21)
InChIKeyVLDYFWBAKDMSTL-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.15
Rot. Bonds5

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

N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide (PubChem CID 71804427) has the molecular formula C15H14F3NO3 and a molecular weight of 313.27 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide
PubChem CID71804427
Molecular FormulaC15H14F3NO3
Molecular Weight313.27 g/mol
Exact Mass313.09
IUPAC NameN-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCC(O)c1ccoc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO3/c16-15(17,18)12-3-1-2-10(8-12)14(21)19-6-4-13(20)11-5-7-22-9-11/h1-3,5,7-9,13,20H,4,6H2,(H,19,21)
InChIKeyVLDYFWBAKDMSTL-UHFFFAOYSA-N
XLogP3.15
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106275
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide
CID 121132736
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 97106421
N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide
CID 121132771
methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate
CID 97106259
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243205
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71804418

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide (CID 71804427) is N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide is O=C(NCCC(O)c1ccoc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VLDYFWBAKDMSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3/c16-15(17,18)12-3-1-2-10(8-12)14(21)19-6-4-13(20)11-5-7-22-9-11/h1-3,5,7-9,13,20H,4,6H2,(H,19,21).
What are the key properties of N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide?
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide has a molecular weight of 313.27 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71804427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).