3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide

C15H15BrFN3O — CID 61090837

IUPAC3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1N
InChIInChI=1S/C15H15BrFN3O/c1-20(2)14-6-3-9(7-12(14)18)15(21)19-13-5-4-10(16)8-11(13)17/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyJKIXYHZCDJFJSB-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.49
Rot. Bonds3

About 3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide

3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide (PubChem CID 61090837) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
PubChem CID61090837
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1N
InChIInChI=1S/C15H15BrFN3O/c1-20(2)14-6-3-9(7-12(14)18)15(21)19-13-5-4-10(16)8-11(13)17/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyJKIXYHZCDJFJSB-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'}

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Related Compounds

3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide
CID 107596229
3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
CID 61090839
4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
CID 63526166
3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79041488
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102704921
3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide
CID 61091528
2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 62151121
3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
CID 61093746
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 43555167
N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997721
N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49156312

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide?
The IUPAC name of 3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide (CID 61090837) is 3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1N.
What is the InChIKey of 3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide?
The InChIKey is JKIXYHZCDJFJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-20(2)14-6-3-9(7-12(14)18)15(21)19-13-5-4-10(16)8-11(13)17/h3-8H,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide?
3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide 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 3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 61090837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).