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

C18H14F5N3O3 — CID 145159431

IUPAC4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFc1cc(-c2ncon2)ccc1C(F)(F)F.O=C(NCCO)c1ccc(F)cc1
InChIInChI=1S/C9H4F4N2O.C9H10FNO2/c10-7-3-5(8-14-4-16-15-8)1-2-6(7)9(11,12)13;10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4H;1-4,12H,5-6H2,(H,11,13)
InChIKeyKJXJKPGMPPHTST-UHFFFAOYSA-N
MW415.32 g/mol
LogP3.44
Rot. Bonds4

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

4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 145159431) has the molecular formula C18H14F5N3O3 and a molecular weight of 415.32 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID145159431
Molecular FormulaC18H14F5N3O3
Molecular Weight415.32 g/mol
Exact Mass415.10
IUPAC Name4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFc1cc(-c2ncon2)ccc1C(F)(F)F.O=C(NCCO)c1ccc(F)cc1
InChIInChI=1S/C9H4F4N2O.C9H10FNO2/c10-7-3-5(8-14-4-16-15-8)1-2-6(7)9(11,12)13;10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4H;1-4,12H,5-6H2,(H,11,13)
InChIKeyKJXJKPGMPPHTST-UHFFFAOYSA-N
XLogP3.44
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 145159516
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 145159463
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole
CID 145159519
3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide
CID 145159512
3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide
CID 145159457
N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119407873
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111108380
3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 54772290
N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119508201
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119629350
N-(3-aminopropyl)-3-fluoro-4-(trifluoromethyl)benzamide
CID 118973559
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119629349

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 145159431) is 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Fc1cc(-c2ncon2)ccc1C(F)(F)F.O=C(NCCO)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is KJXJKPGMPPHTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N2O.C9H10FNO2/c10-7-3-5(8-14-4-16-15-8)1-2-6(7)9(11,12)13;10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4H;1-4,12H,5-6H2,(H,11,13).
What are the key properties of 4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 415.32 g/mol, XLogP of 3.44, 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-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 145159431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).