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

C19H13BrF2N2O2 — CID 22050757

IUPACN-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide
SMILESO=C(Nc1ccn(Cc2cccc(F)c2)c(=O)c1Br)c1ccc(F)cc1
InChIInChI=1S/C19H13BrF2N2O2/c20-17-16(23-18(25)13-4-6-14(21)7-5-13)8-9-24(19(17)26)11-12-2-1-3-15(22)10-12/h1-10H,11H2,(H,23,25)
InChIKeyPDSCRZCGIWAUMG-UHFFFAOYSA-N
MW419.23 g/mol
LogP4.19
Rot. Bonds4

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

N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide (PubChem CID 22050757) has the molecular formula C19H13BrF2N2O2 and a molecular weight of 419.23 g/mol. Its IUPAC name is N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide
PubChem CID22050757
Molecular FormulaC19H13BrF2N2O2
Molecular Weight419.23 g/mol
Exact Mass418.01
IUPAC NameN-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide
SMILESO=C(Nc1ccn(Cc2cccc(F)c2)c(=O)c1Br)c1ccc(F)cc1
InChIInChI=1S/C19H13BrF2N2O2/c20-17-16(23-18(25)13-4-6-14(21)7-5-13)8-9-24(19(17)26)11-12-2-1-3-15(22)10-12/h1-10H,11H2,(H,23,25)
InChIKeyPDSCRZCGIWAUMG-UHFFFAOYSA-N
XLogP4.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.23
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide 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

N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-2,5-difluorobenzamide
CID 22050043
methyl 4-[[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]amino]benzoate
CID 22050988
4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
CID 22050881
3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one
CID 71201156
3-bromo-1-[(3-fluorophenyl)methyl]-4-piperazin-1-ylpyridin-2-one
CID 174481544
methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597576
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 71921768
N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671048
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
3-bromo-1-[(3-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridin-2-one;2,2,2-trifluoroacetic acid
CID 22051025
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
CID 96600000

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide?
The IUPAC name of N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide (CID 22050757) is N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide is O=C(Nc1ccn(Cc2cccc(F)c2)c(=O)c1Br)c1ccc(F)cc1.
What is the InChIKey of N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide?
The InChIKey is PDSCRZCGIWAUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF2N2O2/c20-17-16(23-18(25)13-4-6-14(21)7-5-13)8-9-24(19(17)26)11-12-2-1-3-15(22)10-12/h1-10H,11H2,(H,23,25).
What are the key properties of N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide?
N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide has a molecular weight of 419.23 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-4-fluorobenzamide is sourced from PubChem (CID 22050757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).