2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide

C17H12BrF2N3O — CID 55856619

IUPAC2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
SMILESCc1nccn1-c1ccc(NC(=O)c2ccc(F)cc2Br)cc1F
InChIInChI=1S/C17H12BrF2N3O/c1-10-21-6-7-23(10)16-5-3-12(9-15(16)20)22-17(24)13-4-2-11(19)8-14(13)18/h2-9H,1H3,(H,22,24)
InChIKeyVARYBKDXSYLXIX-UHFFFAOYSA-N
MW392.20 g/mol
LogP4.47
Rot. Bonds3

About 2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide

2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide (PubChem CID 55856619) has the molecular formula C17H12BrF2N3O and a molecular weight of 392.20 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
PubChem CID55856619
Molecular FormulaC17H12BrF2N3O
Molecular Weight392.20 g/mol
Exact Mass391.01
IUPAC Name2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
SMILESCc1nccn1-c1ccc(NC(=O)c2ccc(F)cc2Br)cc1F
InChIInChI=1S/C17H12BrF2N3O/c1-10-21-6-7-23(10)16-5-3-12(9-15(16)20)22-17(24)13-4-2-11(19)8-14(13)18/h2-9H,1H3,(H,22,24)
InChIKeyVARYBKDXSYLXIX-UHFFFAOYSA-N
XLogP4.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide 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

2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide
CID 166405500
3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
CID 55857379
N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55856740
5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide
CID 55857004
2-bromo-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114839990
5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde
CID 43313022
cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94639479
7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide
CID 155963022
(2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
CID 95278065
2-methoxy-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
CID 141110853
(2R)-2-(2-ethoxyethoxy)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]propanamide
CID 94675288
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide (CID 55856619) is 2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide is Cc1nccn1-c1ccc(NC(=O)c2ccc(F)cc2Br)cc1F.
What is the InChIKey of 2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide?
The InChIKey is VARYBKDXSYLXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF2N3O/c1-10-21-6-7-23(10)16-5-3-12(9-15(16)20)22-17(24)13-4-2-11(19)8-14(13)18/h2-9H,1H3,(H,22,24).
What are the key properties of 2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide?
2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide has a molecular weight of 392.20 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55856619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).