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

C18H16FN3O2 — CID 75450137

IUPACN-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1cccc(-c2nnco2)c1
InChIInChI=1S/C18H16FN3O2/c1-12(15-8-3-4-9-16(15)19)22(2)18(23)14-7-5-6-13(10-14)17-21-20-11-24-17/h3-12H,1-2H3
InChIKeyCVSDGSNVYJYQPC-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.71
Rot. Bonds4

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

N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 75450137) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide
PubChem CID75450137
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide
SMILESCC(c1ccccc1F)N(C)C(=O)c1cccc(-c2nnco2)c1
InChIInChI=1S/C18H16FN3O2/c1-12(15-8-3-4-9-16(15)19)22(2)18(23)14-7-5-6-13(10-14)17-21-20-11-24-17/h3-12H,1-2H3
InChIKeyCVSDGSNVYJYQPC-UHFFFAOYSA-N
XLogP3.71
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide (CID 75450137) is N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide is CC(c1ccccc1F)N(C)C(=O)c1cccc(-c2nnco2)c1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is CVSDGSNVYJYQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12(15-8-3-4-9-16(15)19)22(2)18(23)14-7-5-6-13(10-14)17-21-20-11-24-17/h3-12H,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide?
N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 325.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 75450137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).