5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one

C15H16BrFN2O2 — CID 43733478

IUPAC5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(NCc2ccc(Br)cc2F)ccc1=O
InChIInChI=1S/C15H16BrFN2O2/c1-21-7-6-19-10-13(4-5-15(19)20)18-9-11-2-3-12(16)8-14(11)17/h2-5,8,10,18H,6-7,9H2,1H3
InChIKeySMNNFGLIUBPEEW-UHFFFAOYSA-N
MW355.21 g/mol
LogP3.01
Rot. Bonds6

About 5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one

5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 43733478) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID43733478
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(NCc2ccc(Br)cc2F)ccc1=O
InChIInChI=1S/C15H16BrFN2O2/c1-21-7-6-19-10-13(4-5-15(19)20)18-9-11-2-3-12(16)8-14(11)17/h2-5,8,10,18H,6-7,9H2,1H3
InChIKeySMNNFGLIUBPEEW-UHFFFAOYSA-N
XLogP3.01
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-bromothiophen-2-yl)methylamino]-1-(2-methoxyethyl)pyridin-2-one
CID 43733538
5-(benzylamino)-1-(2-methoxyethyl)pyridin-2-one
CID 43733472
5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one
CID 107737829
1-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethylamino)pyridin-2-one
CID 63655201
1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyridin-2-one
CID 43733450
1-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]methanesulfonamide
CID 83085235
1-(2-methoxyethyl)-5-(3-phenylpropylamino)pyridin-2-one
CID 43733396
N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55194295
1-(2-methoxyethyl)-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridin-2-one
CID 54868560
5-[1-(4-bromothiophen-2-yl)ethylamino]-1-(2-methoxyethyl)pyridin-2-one
CID 107354174
2-fluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide
CID 38675455
N-[(4-bromo-2-fluorophenyl)methyl]-4-ethylsulfonylaniline
CID 43234278

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one (CID 43733478) is 5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one is COCCn1cc(NCc2ccc(Br)cc2F)ccc1=O.
What is the InChIKey of 5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is SMNNFGLIUBPEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c1-21-7-6-19-10-13(4-5-15(19)20)18-9-11-2-3-12(16)8-14(11)17/h2-5,8,10,18H,6-7,9H2,1H3.
What are the key properties of 5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one?
5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 355.21 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenyl)methylamino]-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 43733478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).