3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide

C15H14BrFN2O2 — CID 103706931

IUPAC3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
SMILESCCCn1cc(NC(=O)c2ccc(F)c(Br)c2)ccc1=O
InChIInChI=1S/C15H14BrFN2O2/c1-2-7-19-9-11(4-6-14(19)20)18-15(21)10-3-5-13(17)12(16)8-10/h3-6,8-9H,2,7H2,1H3,(H,18,21)
InChIKeyKFVIVBAXRNIINW-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.41
Rot. Bonds4

About 3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide

3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide (PubChem CID 103706931) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
PubChem CID103706931
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
SMILESCCCn1cc(NC(=O)c2ccc(F)c(Br)c2)ccc1=O
InChIInChI=1S/C15H14BrFN2O2/c1-2-7-19-9-11(4-6-14(19)20)18-15(21)10-3-5-13(17)12(16)8-10/h3-6,8-9H,2,7H2,1H3,(H,18,21)
InChIKeyKFVIVBAXRNIINW-UHFFFAOYSA-N
XLogP3.41
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-3-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 51096607
6-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 63973346
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566
2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 80973094
2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 52658974
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzamide
CID 62677966
6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 47255260
3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide
CID 107952344
N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorobenzamide
CID 47254966
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide (CID 103706931) is 3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide is CCCn1cc(NC(=O)c2ccc(F)c(Br)c2)ccc1=O.
What is the InChIKey of 3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
The InChIKey is KFVIVBAXRNIINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-2-7-19-9-11(4-6-14(19)20)18-15(21)10-3-5-13(17)12(16)8-10/h3-6,8-9H,2,7H2,1H3,(H,18,21).
What are the key properties of 3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide?
3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide has a molecular weight of 353.19 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide is sourced from PubChem (CID 103706931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).