N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide

C15H12ClFN4O2 — CID 53114486

IUPACN-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1nnc(-c2cccn2CC(=O)Nc2ccc(Cl)cc2F)o1
InChIInChI=1S/C15H12ClFN4O2/c1-9-19-20-15(23-9)13-3-2-6-21(13)8-14(22)18-12-5-4-10(16)7-11(12)17/h2-7H,8H2,1H3,(H,18,22)
InChIKeyAEELIEFIEZRYEN-UHFFFAOYSA-N
MW334.74 g/mol
LogP3.28
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide

N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53114486) has the molecular formula C15H12ClFN4O2 and a molecular weight of 334.74 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53114486
Molecular FormulaC15H12ClFN4O2
Molecular Weight334.74 g/mol
Exact Mass334.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1nnc(-c2cccn2CC(=O)Nc2ccc(Cl)cc2F)o1
InChIInChI=1S/C15H12ClFN4O2/c1-9-19-20-15(23-9)13-3-2-6-21(13)8-14(22)18-12-5-4-10(16)7-11(12)17/h2-7H,8H2,1H3,(H,18,22)
InChIKeyAEELIEFIEZRYEN-UHFFFAOYSA-N
XLogP3.28
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (CID 53114486) is N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is Cc1nnc(-c2cccn2CC(=O)Nc2ccc(Cl)cc2F)o1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is AEELIEFIEZRYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2/c1-9-19-20-15(23-9)13-3-2-6-21(13)8-14(22)18-12-5-4-10(16)7-11(12)17/h2-7H,8H2,1H3,(H,18,22).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 334.74 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53114486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).