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

C22H15F2N3O3 — CID 5297581

IUPAC2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCOc1cccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(F)cc3F)o2)c1
InChIInChI=1S/C22H15F2N3O3/c1-29-15-6-4-5-13(11-15)21-26-27-22(30-21)17-7-2-3-8-19(17)25-20(28)16-10-9-14(23)12-18(16)24/h2-12H,1H3,(H,25,28)
InChIKeyHHEKQULURBYXSA-UHFFFAOYSA-N
MW407.38 g/mol
LogP4.94
Rot. Bonds5

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

2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 5297581) has the molecular formula C22H15F2N3O3 and a molecular weight of 407.38 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID5297581
Molecular FormulaC22H15F2N3O3
Molecular Weight407.38 g/mol
Exact Mass407.11
IUPAC Name2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCOc1cccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(F)cc3F)o2)c1
InChIInChI=1S/C22H15F2N3O3/c1-29-15-6-4-5-13(11-15)21-26-27-22(30-21)17-7-2-3-8-19(17)25-20(28)16-10-9-14(23)12-18(16)24/h2-12H,1H3,(H,25,28)
InChIKeyHHEKQULURBYXSA-UHFFFAOYSA-N
XLogP4.94
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 5297581) is 2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is COc1cccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(F)cc3F)o2)c1.
What is the InChIKey of 2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is HHEKQULURBYXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O3/c1-29-15-6-4-5-13(11-15)21-26-27-22(30-21)17-7-2-3-8-19(17)25-20(28)16-10-9-14(23)12-18(16)24/h2-12H,1H3,(H,25,28).
What are the key properties of 2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 407.38 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 5297581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).