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

C16H16F3NO4 — CID 47932718

IUPACN-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO4/c1-10-14(5-6-23-10)15(22)20-8-12(21)9-24-13-4-2-3-11(7-13)16(17,18)19/h2-7,12,21H,8-9H2,1H3,(H,20,22)
InChIKeyOCYDSPWZVHIUOQ-UHFFFAOYSA-N
MW343.30 g/mol
LogP2.78
Rot. Bonds6

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

N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide (PubChem CID 47932718) has the molecular formula C16H16F3NO4 and a molecular weight of 343.30 g/mol. Its IUPAC name is N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide
PubChem CID47932718
Molecular FormulaC16H16F3NO4
Molecular Weight343.30 g/mol
Exact Mass343.10
IUPAC NameN-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO4/c1-10-14(5-6-23-10)15(22)20-8-12(21)9-24-13-4-2-3-11(7-13)16(17,18)19/h2-7,12,21H,8-9H2,1H3,(H,20,22)
InChIKeyOCYDSPWZVHIUOQ-UHFFFAOYSA-N
XLogP2.78
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
CID 47932845
5-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylbenzamide
CID 120625917
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
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
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
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 155945530
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-1H-indazole-3-carboxamide
CID 47932682
5-chloro-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 60587132

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide (CID 47932718) is N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC(O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide?
The InChIKey is OCYDSPWZVHIUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO4/c1-10-14(5-6-23-10)15(22)20-8-12(21)9-24-13-4-2-3-11(7-13)16(17,18)19/h2-7,12,21H,8-9H2,1H3,(H,20,22).
What are the key properties of N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide?
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide has a molecular weight of 343.30 g/mol, XLogP of 2.78, 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]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 47932718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).