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

C15H12ClFN4O2 — CID 53114483

IUPACN-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1nnc(-c2cccn2CC(=O)Nc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C15H12ClFN4O2/c1-9-19-20-15(23-9)13-3-2-6-21(13)8-14(22)18-10-4-5-12(17)11(16)7-10/h2-7H,8H2,1H3,(H,18,22)
InChIKeyRFJJTGLCFJTPDI-UHFFFAOYSA-N
MW334.74 g/mol
LogP3.28
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53114483) has the molecular formula C15H12ClFN4O2 and a molecular weight of 334.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53114483
Molecular FormulaC15H12ClFN4O2
Molecular Weight334.74 g/mol
Exact Mass334.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESCc1nnc(-c2cccn2CC(=O)Nc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C15H12ClFN4O2/c1-9-19-20-15(23-9)13-3-2-6-21(13)8-14(22)18-10-4-5-12(17)11(16)7-10/h2-7H,8H2,1H3,(H,18,22)
InChIKeyRFJJTGLCFJTPDI-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (CID 53114483) is N-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is Cc1nnc(-c2cccn2CC(=O)Nc2ccc(F)c(Cl)c2)o1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is RFJJTGLCFJTPDI-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)18-10-4-5-12(17)11(16)7-10/h2-7H,8H2,1H3,(H,18,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
N-(3-chloro-4-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-(3-chloro-4-fluorophenyl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53114483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).