4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C18H15F4N3O3 — CID 145159516

IUPAC4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccccc1-c1ncon1.O=C(NCCO)c1ccc(F)cc1
InChIInChI=1S/C9H5F3N2O.C9H10FNO2/c10-9(11,12)7-4-2-1-3-6(7)8-13-5-15-14-8;10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-5H;1-4,12H,5-6H2,(H,11,13)
InChIKeySFYGHLGBYAAVLN-UHFFFAOYSA-N
MW397.33 g/mol
LogP3.30
Rot. Bonds4

About 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 145159516) has the molecular formula C18H15F4N3O3 and a molecular weight of 397.33 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID145159516
Molecular FormulaC18H15F4N3O3
Molecular Weight397.33 g/mol
Exact Mass397.10
IUPAC Name4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1ccccc1-c1ncon1.O=C(NCCO)c1ccc(F)cc1
InChIInChI=1S/C9H5F3N2O.C9H10FNO2/c10-9(11,12)7-4-2-1-3-6(7)8-13-5-15-14-8;10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-5H;1-4,12H,5-6H2,(H,11,13)
InChIKeySFYGHLGBYAAVLN-UHFFFAOYSA-N
XLogP3.30
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 145159431
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 145159463
3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide
CID 145159512
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole
CID 145159519
3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide
CID 145159457
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111108380
N-(2-hydroxyethyl)-4-(3-phenyl-1,2-oxazol-4-yl)benzamide
CID 58833396
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-fluoro-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 881642
N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119407873
3-[(4-fluorobenzoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 110888564

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 145159516) is 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1ccccc1-c1ncon1.O=C(NCCO)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is SFYGHLGBYAAVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O.C9H10FNO2/c10-9(11,12)7-4-2-1-3-6(7)8-13-5-15-14-8;10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-5H;1-4,12H,5-6H2,(H,11,13).
What are the key properties of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 397.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 145159516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).