N-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide

C20H19BrFN3O2 — CID 43077739

IUPACN-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCC(NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1Br
InChIInChI=1S/C20H19BrFN3O2/c1-13(16-5-2-3-6-17(16)21)23-18(26)7-4-8-19-24-20(25-27-19)14-9-11-15(22)12-10-14/h2-3,5-6,9-13H,4,7-8H2,1H3,(H,23,26)
InChIKeyRZTONIDVKQZUMG-UHFFFAOYSA-N
MW432.29 g/mol
LogP4.84
Rot. Bonds7

About N-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide

N-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 43077739) has the molecular formula C20H19BrFN3O2 and a molecular weight of 432.29 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID43077739
Molecular FormulaC20H19BrFN3O2
Molecular Weight432.29 g/mol
Exact Mass431.06
IUPAC NameN-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCC(NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1Br
InChIInChI=1S/C20H19BrFN3O2/c1-13(16-5-2-3-6-17(16)21)23-18(26)7-4-8-19-24-20(25-27-19)14-9-11-15(22)12-10-14/h2-3,5-6,9-13H,4,7-8H2,1H3,(H,23,26)
InChIKeyRZTONIDVKQZUMG-UHFFFAOYSA-N
XLogP4.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 43077739) is N-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is CC(NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is RZTONIDVKQZUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3O2/c1-13(16-5-2-3-6-17(16)21)23-18(26)7-4-8-19-24-20(25-27-19)14-9-11-15(22)12-10-14/h2-3,5-6,9-13H,4,7-8H2,1H3,(H,23,26).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 432.29 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 43077739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).