3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C18H15F2N3O2 — CID 110323773

IUPAC3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCc1cccc(-c2noc(CCNC(=O)c3ccc(F)c(F)c3)n2)c1
InChIInChI=1S/C18H15F2N3O2/c1-11-3-2-4-12(9-11)17-22-16(25-23-17)7-8-21-18(24)13-5-6-14(19)15(20)10-13/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyVELPHLPPKQZCEI-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.30
Rot. Bonds5

About 3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 110323773) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID110323773
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCc1cccc(-c2noc(CCNC(=O)c3ccc(F)c(F)c3)n2)c1
InChIInChI=1S/C18H15F2N3O2/c1-11-3-2-4-12(9-11)17-22-16(25-23-17)7-8-21-18(24)13-5-6-14(19)15(20)10-13/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyVELPHLPPKQZCEI-UHFFFAOYSA-N
XLogP3.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323732
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzamide
CID 110323952
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 71931147
1-(3-chlorophenyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110323762
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 110323402
3-fluoro-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83290151
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 110323931
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
4-tert-butyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 46300146
2,3,4-trifluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323311
N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101299
3-fluoro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323620

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 110323773) is 3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is Cc1cccc(-c2noc(CCNC(=O)c3ccc(F)c(F)c3)n2)c1.
What is the InChIKey of 3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is VELPHLPPKQZCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-11-3-2-4-12(9-11)17-22-16(25-23-17)7-8-21-18(24)13-5-6-14(19)15(20)10-13/h2-6,9-10H,7-8H2,1H3,(H,21,24).
What are the key properties of 3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 343.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 110323773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).