N-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide

C23H18BrFN4O3 — CID 27371304

IUPACN-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C23H18BrFN4O3/c1-13-10-14(2)29(12-19(30)26-18-9-8-16(24)11-17(18)25)23(31)20(13)22-27-21(28-32-22)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,26,30)
InChIKeyVFVGNTYRODXMRO-UHFFFAOYSA-N
MW497.32 g/mol
LogP4.72
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide

N-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide (PubChem CID 27371304) has the molecular formula C23H18BrFN4O3 and a molecular weight of 497.32 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
PubChem CID27371304
Molecular FormulaC23H18BrFN4O3
Molecular Weight497.32 g/mol
Exact Mass496.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C23H18BrFN4O3/c1-13-10-14(2)29(12-19(30)26-18-9-8-16(24)11-17(18)25)23(31)20(13)22-27-21(28-32-22)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,26,30)
InChIKeyVFVGNTYRODXMRO-UHFFFAOYSA-N
XLogP4.72
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.32
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]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-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide (CID 27371304) is N-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide is Cc1cc(C)n(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1-c1nc(-c2ccccc2)no1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The InChIKey is VFVGNTYRODXMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrFN4O3/c1-13-10-14(2)29(12-19(30)26-18-9-8-16(24)11-17(18)25)23(31)20(13)22-27-21(28-32-22)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,26,30).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide has a molecular weight of 497.32 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[4,6-dimethyl-2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide is sourced from PubChem (CID 27371304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).