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

C13H11BrFN3O2 — CID 47063305

IUPAC2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1nc(C2CC2)no1)c1ccc(F)cc1Br
InChIInChI=1S/C13H11BrFN3O2/c14-10-5-8(15)3-4-9(10)13(19)16-6-11-17-12(18-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,19)
InChIKeyXDILHDHOMVBXFH-UHFFFAOYSA-N
MW340.15 g/mol
LogP2.78
Rot. Bonds4

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

2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide (PubChem CID 47063305) has the molecular formula C13H11BrFN3O2 and a molecular weight of 340.15 g/mol. Its IUPAC name is 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide
PubChem CID47063305
Molecular FormulaC13H11BrFN3O2
Molecular Weight340.15 g/mol
Exact Mass339.00
IUPAC Name2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1nc(C2CC2)no1)c1ccc(F)cc1Br
InChIInChI=1S/C13H11BrFN3O2/c14-10-5-8(15)3-4-9(10)13(19)16-6-11-17-12(18-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,19)
InChIKeyXDILHDHOMVBXFH-UHFFFAOYSA-N
XLogP2.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide (CID 47063305) is 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide is O=C(NCc1nc(C2CC2)no1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide?
The InChIKey is XDILHDHOMVBXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O2/c14-10-5-8(15)3-4-9(10)13(19)16-6-11-17-12(18-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,19).
What are the key properties of 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide?
2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide has a molecular weight of 340.15 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 47063305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).