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

C23H18FN3O2 — CID 10200209

IUPACN-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)c2)o1
InChIInChI=1S/C23H18FN3O2/c1-14-3-4-18(23-27-26-15(2)29-23)13-21(14)16-5-7-17(8-6-16)22(28)25-20-11-9-19(24)10-12-20/h3-13H,1-2H3,(H,25,28)
InChIKeyNDNFOYOZBXUFLH-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.41
Rot. Bonds4

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

N-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 10200209) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID10200209
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)c2)o1
InChIInChI=1S/C23H18FN3O2/c1-14-3-4-18(23-27-26-15(2)29-23)13-21(14)16-5-7-17(8-6-16)22(28)25-20-11-9-19(24)10-12-20/h3-13H,1-2H3,(H,25,28)
InChIKeyNDNFOYOZBXUFLH-UHFFFAOYSA-N
XLogP5.41
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 10200209) is N-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)Nc4ccc(F)cc4)cc3)c2)o1.
What is the InChIKey of N-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is NDNFOYOZBXUFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-14-3-4-18(23-27-26-15(2)29-23)13-21(14)16-5-7-17(8-6-16)22(28)25-20-11-9-19(24)10-12-20/h3-13H,1-2H3,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 387.41 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 10200209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).