3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide

C15H14BrFN2O — CID 106544738

IUPAC3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide
SMILESCN(C)c1ccccc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H14BrFN2O/c1-19(2)13-9-4-3-8-12(13)18-15(20)10-6-5-7-11(16)14(10)17/h3-9H,1-2H3,(H,18,20)
InChIKeyQFIVRDQGVRJEKL-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.91
Rot. Bonds3

About 3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide

3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide (PubChem CID 106544738) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide
PubChem CID106544738
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide
SMILESCN(C)c1ccccc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H14BrFN2O/c1-19(2)13-9-4-3-8-12(13)18-15(20)10-6-5-7-11(16)14(10)17/h3-9H,1-2H3,(H,18,20)
InChIKeyQFIVRDQGVRJEKL-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[2-(dimethylamino)phenyl]-2-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

3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide
CID 106544263
3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106543999
3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 107956658
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
4-bromo-N-[2-(dimethylamino)phenyl]benzamide
CID 30875552
3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
CID 107953841
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040
3-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 106547569
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide (CID 106544738) is 3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide is CN(C)c1ccccc1NC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide?
The InChIKey is QFIVRDQGVRJEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-19(2)13-9-4-3-8-12(13)18-15(20)10-6-5-7-11(16)14(10)17/h3-9H,1-2H3,(H,18,20).
What are the key properties of 3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide?
3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide has a molecular weight of 337.19 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 106544738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).