2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide

C15H15BrFN3O — CID 63110560

IUPAC2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1ccc(F)cc1N
InChIInChI=1S/C15H15BrFN3O/c1-20(2)14-6-3-9(16)7-13(14)19-15(21)11-5-4-10(17)8-12(11)18/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyFUUXIZKZPFWVJH-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.49
Rot. Bonds3

About 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide

2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide (PubChem CID 63110560) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide
PubChem CID63110560
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1ccc(F)cc1N
InChIInChI=1S/C15H15BrFN3O/c1-20(2)14-6-3-9(16)7-13(14)19-15(21)11-5-4-10(17)8-12(11)18/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyFUUXIZKZPFWVJH-UHFFFAOYSA-N
XLogP3.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-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

2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
CID 61213111
2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide
CID 43710251
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
CID 63526166
2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 103758959
2-amino-N-(5-bromo-2-chlorophenyl)-5-fluorobenzamide
CID 62914100
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
CID 113092466
N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide
CID 115745652
2-amino-4-fluoro-N-(2-methylphenyl)benzamide
CID 62060652
3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
CID 61090837
2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide?
The IUPAC name of 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide (CID 63110560) is 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide is CN(C)c1ccc(Br)cc1NC(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide?
The InChIKey is FUUXIZKZPFWVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-20(2)14-6-3-9(16)7-13(14)19-15(21)11-5-4-10(17)8-12(11)18/h3-8H,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide?
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide has a molecular weight of 352.21 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 63110560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).