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

C22H15F2N3O2 — CID 69180992

IUPAC2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide
SMILESCc1ccc(-c2nnco2)cc1-c1ccc(NC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C22H15F2N3O2/c1-13-5-6-15(22-27-25-12-29-22)11-18(13)14-7-9-16(10-8-14)26-21(28)17-3-2-4-19(23)20(17)24/h2-12H,1H3,(H,26,28)
InChIKeyULBMTBCVJLTTIK-UHFFFAOYSA-N
MW391.38 g/mol
LogP5.24
Rot. Bonds4

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

2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide (PubChem CID 69180992) has the molecular formula C22H15F2N3O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is 2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide
PubChem CID69180992
Molecular FormulaC22H15F2N3O2
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide
SMILESCc1ccc(-c2nnco2)cc1-c1ccc(NC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C22H15F2N3O2/c1-13-5-6-15(22-27-25-12-29-22)11-18(13)14-7-9-16(10-8-14)26-21(28)17-3-2-4-19(23)20(17)24/h2-12H,1H3,(H,26,28)
InChIKeyULBMTBCVJLTTIK-UHFFFAOYSA-N
XLogP5.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.38
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide (CID 69180992) is 2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide is Cc1ccc(-c2nnco2)cc1-c1ccc(NC(=O)c2cccc(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide?
The InChIKey is ULBMTBCVJLTTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O2/c1-13-5-6-15(22-27-25-12-29-22)11-18(13)14-7-9-16(10-8-14)26-21(28)17-3-2-4-19(23)20(17)24/h2-12H,1H3,(H,26,28).
What are the key properties of 2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide?
2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide has a molecular weight of 391.38 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]benzamide is sourced from PubChem (CID 69180992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).