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

C19H16BrF2N3O2 — CID 55907270

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C19H16BrF2N3O2/c20-14-8-12(9-16(22)10-14)11-23-17(26)2-1-3-18-24-19(25-27-18)13-4-6-15(21)7-5-13/h4-10H,1-3,11H2,(H,23,26)
InChIKeyAGHHXKHZUMDBPZ-UHFFFAOYSA-N
MW436.26 g/mol
LogP4.42
Rot. Bonds7

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

N-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 55907270) has the molecular formula C19H16BrF2N3O2 and a molecular weight of 436.26 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID55907270
Molecular FormulaC19H16BrF2N3O2
Molecular Weight436.26 g/mol
Exact Mass435.04
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C19H16BrF2N3O2/c20-14-8-12(9-16(22)10-14)11-23-17(26)2-1-3-18-24-19(25-27-18)13-4-6-15(21)7-5-13/h4-10H,1-3,11H2,(H,23,26)
InChIKeyAGHHXKHZUMDBPZ-UHFFFAOYSA-N
XLogP4.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.26
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 55907270) is N-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCc1cc(F)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is AGHHXKHZUMDBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF2N3O2/c20-14-8-12(9-16(22)10-14)11-23-17(26)2-1-3-18-24-19(25-27-18)13-4-6-15(21)7-5-13/h4-10H,1-3,11H2,(H,23,26).
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 436.26 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 55907270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).