N-(4-bromo-2-pyridinyl)-3-fluorobenzamide

C12H8BrFN2O — CID 3011458

IUPACN-(4-bromo-2-pyridinyl)-3-fluorobenzamide
SMILESO=C(Nc1cc(Br)ccn1)c1cccc(F)c1
InChIInChI=1S/C12H8BrFN2O/c13-9-4-5-15-11(7-9)16-12(17)8-2-1-3-10(14)6-8/h1-7H,(H,15,16,17)
InChIKeyZGJRGEWSHFGNPB-UHFFFAOYSA-N
MW295.11 g/mol
LogP3.24
Rot. Bonds2

About N-(4-bromo-2-pyridinyl)-3-fluorobenzamide

N-(4-bromo-2-pyridinyl)-3-fluorobenzamide (PubChem CID 3011458) has the molecular formula C12H8BrFN2O and a molecular weight of 295.11 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-3-fluorobenzamide
PubChem CID3011458
Molecular FormulaC12H8BrFN2O
Molecular Weight295.11 g/mol
Exact Mass293.98
IUPAC NameN-(4-bromo-2-pyridinyl)-3-fluorobenzamide
SMILESO=C(Nc1cc(Br)ccn1)c1cccc(F)c1
InChIInChI=1S/C12H8BrFN2O/c13-9-4-5-15-11(7-9)16-12(17)8-2-1-3-10(14)6-8/h1-7H,(H,15,16,17)
InChIKeyZGJRGEWSHFGNPB-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-pyridinyl)-3-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

6-bromo-N-(4-bromo-2-pyridinyl)naphthalene-2-carboxamide
CID 102820628
(E)-3-[2-[(3-fluorobenzoyl)amino]-4-pyridinyl]prop-2-enoic acid
CID 102822099
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
N-(4-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 107674194
N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
CID 102674424
3-bromo-N-(4-nitro-2-pyridinyl)benzamide
CID 3011463
3-(azepan-1-ylsulfonyl)-N-(4-bromo-2-pyridinyl)benzamide
CID 90342568
N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 102674046
N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 102674107
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
N-(4-bromo-2-pyridinyl)furan-2-carboxamide
CID 102674239

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-3-fluorobenzamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-3-fluorobenzamide (CID 3011458) is N-(4-bromo-2-pyridinyl)-3-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-3-fluorobenzamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-3-fluorobenzamide is O=C(Nc1cc(Br)ccn1)c1cccc(F)c1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-3-fluorobenzamide?
The InChIKey is ZGJRGEWSHFGNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O/c13-9-4-5-15-11(7-9)16-12(17)8-2-1-3-10(14)6-8/h1-7H,(H,15,16,17).
What are the key properties of N-(4-bromo-2-pyridinyl)-3-fluorobenzamide?
N-(4-bromo-2-pyridinyl)-3-fluorobenzamide has a molecular weight of 295.11 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-3-fluorobenzamide is sourced from PubChem (CID 3011458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).