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

C24H18F2N4O3 — CID 47093180

IUPACN-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C24H18F2N4O3/c1-13-4-3-5-17(10-13)24-30-29-23(33-24)16-8-6-15(7-9-16)22(32)28-21-12-19(26)18(25)11-20(21)27-14(2)31/h3-12H,1-2H3,(H,27,31)(H,28,32)
InChIKeyMBUXPHSOSBXXTK-UHFFFAOYSA-N
MW448.43 g/mol
LogP5.20
Rot. Bonds5

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

N-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 47093180) has the molecular formula C24H18F2N4O3 and a molecular weight of 448.43 g/mol. Its IUPAC name is N-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID47093180
Molecular FormulaC24H18F2N4O3
Molecular Weight448.43 g/mol
Exact Mass448.13
IUPAC NameN-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C24H18F2N4O3/c1-13-4-3-5-17(10-13)24-30-29-23(33-24)16-8-6-15(7-9-16)22(32)28-21-12-19(26)18(25)11-20(21)27-14(2)31/h3-12H,1-2H3,(H,27,31)(H,28,32)
InChIKeyMBUXPHSOSBXXTK-UHFFFAOYSA-N
XLogP5.20
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.43
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 47093180) is N-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1.
What is the InChIKey of N-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is MBUXPHSOSBXXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O3/c1-13-4-3-5-17(10-13)24-30-29-23(33-24)16-8-6-15(7-9-16)22(32)28-21-12-19(26)18(25)11-20(21)27-14(2)31/h3-12H,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 448.43 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4,5-difluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 47093180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).