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

C21H14BrFN4O3 — CID 30849102

IUPACN-(4-bromo-2-fluorophenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C21H14BrFN4O3/c22-14-8-9-17(16(23)11-14)24-18(28)12-27-10-4-7-15(21(27)29)20-25-19(26-30-20)13-5-2-1-3-6-13/h1-11H,12H2,(H,24,28)
InChIKeyJRQRPNITHPQBSK-UHFFFAOYSA-N
MW469.27 g/mol
LogP4.11
Rot. Bonds5

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

N-(4-bromo-2-fluorophenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide (PubChem CID 30849102) has the molecular formula C21H14BrFN4O3 and a molecular weight of 469.27 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
PubChem CID30849102
Molecular FormulaC21H14BrFN4O3
Molecular Weight469.27 g/mol
Exact Mass468.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C21H14BrFN4O3/c22-14-8-9-17(16(23)11-14)24-18(28)12-27-10-4-7-15(21(27)29)20-25-19(26-30-20)13-5-2-1-3-6-13/h1-11H,12H2,(H,24,28)
InChIKeyJRQRPNITHPQBSK-UHFFFAOYSA-N
XLogP4.11
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.27
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide (CID 30849102) is N-(4-bromo-2-fluorophenyl)-2-[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-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide is O=C(Cn1cccc(-c2nc(-c3ccccc3)no2)c1=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
The InChIKey is JRQRPNITHPQBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrFN4O3/c22-14-8-9-17(16(23)11-14)24-18(28)12-27-10-4-7-15(21(27)29)20-25-19(26-30-20)13-5-2-1-3-6-13/h1-11H,12H2,(H,24,28).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide has a molecular weight of 469.27 g/mol, XLogP of 4.11, 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-[2-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyridinyl]acetamide is sourced from PubChem (CID 30849102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).