3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide

C13H13ClFN3O3 — CID 71914707

IUPAC3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(F)cc(Cl)c1O)c1noc(C)n1
InChIInChI=1S/C13H13ClFN3O3/c1-3-10(12-16-6(2)21-18-12)17-13(20)8-4-7(15)5-9(14)11(8)19/h4-5,10,19H,3H2,1-2H3,(H,17,20)
InChIKeySEIPZLKBDHNIBD-UHFFFAOYSA-N
MW313.72 g/mol
LogP2.76
Rot. Bonds4

About 3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide

3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide (PubChem CID 71914707) has the molecular formula C13H13ClFN3O3 and a molecular weight of 313.72 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
PubChem CID71914707
Molecular FormulaC13H13ClFN3O3
Molecular Weight313.72 g/mol
Exact Mass313.06
IUPAC Name3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(F)cc(Cl)c1O)c1noc(C)n1
InChIInChI=1S/C13H13ClFN3O3/c1-3-10(12-16-6(2)21-18-12)17-13(20)8-4-7(15)5-9(14)11(8)19/h4-5,10,19H,3H2,1-2H3,(H,17,20)
InChIKeySEIPZLKBDHNIBD-UHFFFAOYSA-N
XLogP2.76
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide?
The IUPAC name of 3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide (CID 71914707) is 3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide?
The canonical SMILES for 3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide is CCC(NC(=O)c1cc(F)cc(Cl)c1O)c1noc(C)n1.
What is the InChIKey of 3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide?
The InChIKey is SEIPZLKBDHNIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O3/c1-3-10(12-16-6(2)21-18-12)17-13(20)8-4-7(15)5-9(14)11(8)19/h4-5,10,19H,3H2,1-2H3,(H,17,20).
What are the key properties of 3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide?
3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide has a molecular weight of 313.72 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-2-hydroxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide is sourced from PubChem (CID 71914707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).