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

C24H20FN3O2 — CID 24658912

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3cccc(F)c3)cc2)o1
InChIInChI=1S/C24H20FN3O2/c1-16-6-3-4-9-21(16)23-27-26-22(30-23)18-10-12-19(13-11-18)24(29)28(2)15-17-7-5-8-20(25)14-17/h3-14H,15H2,1-2H3
InChIKeyNLIOZIUMXKBEHD-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.12
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 24658912) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID24658912
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3cccc(F)c3)cc2)o1
InChIInChI=1S/C24H20FN3O2/c1-16-6-3-4-9-21(16)23-27-26-22(30-23)18-10-12-19(13-11-18)24(29)28(2)15-17-7-5-8-20(25)14-17/h3-14H,15H2,1-2H3
InChIKeyNLIOZIUMXKBEHD-UHFFFAOYSA-N
XLogP5.12
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 24658912) is N-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3cccc(F)c3)cc2)o1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is NLIOZIUMXKBEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-16-6-3-4-9-21(16)23-27-26-22(30-23)18-10-12-19(13-11-18)24(29)28(2)15-17-7-5-8-20(25)14-17/h3-14H,15H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 401.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 24658912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).