N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide

C22H15F2N3O2 — CID 43972132

IUPACN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2F)o1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H15F2N3O2/c23-16-11-12-17(18(24)13-16)21-26-27-22(29-21)25-20(28)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,25,27,28)
InChIKeyXCLQQIFCDKOCGX-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.79
Rot. Bonds5

About N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide

N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide (PubChem CID 43972132) has the molecular formula C22H15F2N3O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
PubChem CID43972132
Molecular FormulaC22H15F2N3O2
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC NameN-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2F)o1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H15F2N3O2/c23-16-11-12-17(18(24)13-16)21-26-27-22(29-21)25-20(28)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,25,27,28)
InChIKeyXCLQQIFCDKOCGX-UHFFFAOYSA-N
XLogP4.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide (CID 43972132) is N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide is O=C(Nc1nnc(-c2ccc(F)cc2F)o1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
The InChIKey is XCLQQIFCDKOCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O2/c23-16-11-12-17(18(24)13-16)21-26-27-22(29-21)25-20(28)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,25,27,28).
What are the key properties of N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide has a molecular weight of 391.38 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 43972132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).