N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide

C14H11Br2FN2O2 — CID 78830186

IUPACN-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1cc(Br)ccc1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H11Br2FN2O2/c15-9-1-3-12(11(17)7-9)18-13(20)5-6-19-8-10(16)2-4-14(19)21/h1-4,7-8H,5-6H2,(H,18,20)
InChIKeyRVHYBVYEXHPLMP-UHFFFAOYSA-N
MW418.06 g/mol
LogP3.54
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide

N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide (PubChem CID 78830186) has the molecular formula C14H11Br2FN2O2 and a molecular weight of 418.06 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide
PubChem CID78830186
Molecular FormulaC14H11Br2FN2O2
Molecular Weight418.06 g/mol
Exact Mass415.92
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1cc(Br)ccc1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H11Br2FN2O2/c15-9-1-3-12(11(17)7-9)18-13(20)5-6-19-8-10(16)2-4-14(19)21/h1-4,7-8H,5-6H2,(H,18,20)
InChIKeyRVHYBVYEXHPLMP-UHFFFAOYSA-N
XLogP3.54
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.06
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 47115199
N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide
CID 82031748
N-(4-bromo-2-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 43111903
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16520358
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4901846
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517315
ethyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 33142715
3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 66138250
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 50759173
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide (CID 78830186) is N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide is O=C(CCn1cc(Br)ccc1=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide?
The InChIKey is RVHYBVYEXHPLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FN2O2/c15-9-1-3-12(11(17)7-9)18-13(20)5-6-19-8-10(16)2-4-14(19)21/h1-4,7-8H,5-6H2,(H,18,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide?
N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide has a molecular weight of 418.06 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 78830186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).