N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide

C15H14F3NO4 — CID 47932845

IUPACN-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
SMILESO=C(NCC(O)COc1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C15H14F3NO4/c16-15(17,18)10-3-1-4-12(7-10)23-9-11(20)8-19-14(21)13-5-2-6-22-13/h1-7,11,20H,8-9H2,(H,19,21)
InChIKeyMDKNRDVQSBXNGX-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.47
Rot. Bonds6

About N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide

N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide (PubChem CID 47932845) has the molecular formula C15H14F3NO4 and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
PubChem CID47932845
Molecular FormulaC15H14F3NO4
Molecular Weight329.27 g/mol
Exact Mass329.09
IUPAC NameN-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
SMILESO=C(NCC(O)COc1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C15H14F3NO4/c16-15(17,18)10-3-1-4-12(7-10)23-9-11(20)8-19-14(21)13-5-2-6-22-13/h1-7,11,20H,8-9H2,(H,19,21)
InChIKeyMDKNRDVQSBXNGX-UHFFFAOYSA-N
XLogP2.47
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide
CID 47932718
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 99801130
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 102563811
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
CID 22282753
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide;hydrochloride
CID 119304969
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenoxy]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51120496
5-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylbenzamide
CID 120625917
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-1H-indazole-3-carboxamide
CID 47932682

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide (CID 47932845) is N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide is O=C(NCC(O)COc1cccc(C(F)(F)F)c1)c1ccco1.
What is the InChIKey of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide?
The InChIKey is MDKNRDVQSBXNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4/c16-15(17,18)10-3-1-4-12(7-10)23-9-11(20)8-19-14(21)13-5-2-6-22-13/h1-7,11,20H,8-9H2,(H,19,21).
What are the key properties of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide?
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide has a molecular weight of 329.27 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide is sourced from PubChem (CID 47932845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).