4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide

C14H12BrFN2O2 — CID 83133649

IUPAC4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
SMILESCc1cc(Br)cn(Cc2ccc(C(N)=O)cc2F)c1=O
InChIInChI=1S/C14H12BrFN2O2/c1-8-4-11(15)7-18(14(8)20)6-10-3-2-9(13(17)19)5-12(10)16/h2-5,7H,6H2,1H3,(H2,17,19)
InChIKeyLOKBIAUSKVRWFY-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.21
Rot. Bonds3

About 4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide

4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide (PubChem CID 83133649) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
PubChem CID83133649
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
SMILESCc1cc(Br)cn(Cc2ccc(C(N)=O)cc2F)c1=O
InChIInChI=1S/C14H12BrFN2O2/c1-8-4-11(15)7-18(14(8)20)6-10-3-2-9(13(17)19)5-12(10)16/h2-5,7H,6H2,1H3,(H2,17,19)
InChIKeyLOKBIAUSKVRWFY-UHFFFAOYSA-N
XLogP2.21
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-amino-2-fluorophenyl)methyl]-5-bromo-3-methylpyridin-2-one
CID 83130711
4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
CID 114761112
4-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-3-fluorobenzamide
CID 66308705
1-[(2-amino-4-chlorophenyl)methyl]-5-bromo-3-methylpyridin-2-one
CID 83130605
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 83131010
4-[(6-bromoindol-1-yl)methyl]-3-fluorobenzamide
CID 116621806
1-[(2-amino-5-chlorophenyl)methyl]-5-bromo-3-methylpyridin-2-one
CID 83130910
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoic acid
CID 106698935
2-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-4-fluorobenzonitrile
CID 103792117
3-fluoro-4-[(2-oxopyrimidin-1-yl)methyl]benzamide
CID 116618428
3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide
CID 116622136
1-[(4-fluorophenyl)methyl]-5-methyl-6-oxopyridine-3-carboxamide
CID 145267445

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide (CID 83133649) is 4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide is Cc1cc(Br)cn(Cc2ccc(C(N)=O)cc2F)c1=O.
What is the InChIKey of 4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide?
The InChIKey is LOKBIAUSKVRWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-8-4-11(15)7-18(14(8)20)6-10-3-2-9(13(17)19)5-12(10)16/h2-5,7H,6H2,1H3,(H2,17,19).
What are the key properties of 4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide?
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide has a molecular weight of 339.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 83133649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).