3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide

C15H15BrFN3O — CID 107596229

IUPAC3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2c(F)cccc2Br)cc1N
InChIInChI=1S/C15H15BrFN3O/c1-20(2)13-7-6-9(8-12(13)18)15(21)19-14-10(16)4-3-5-11(14)17/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyCCACLJJJKUALFE-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.49
Rot. Bonds3

About 3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide

3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide (PubChem CID 107596229) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide
PubChem CID107596229
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2c(F)cccc2Br)cc1N
InChIInChI=1S/C15H15BrFN3O/c1-20(2)13-7-6-9(8-12(13)18)15(21)19-14-10(16)4-3-5-11(14)17/h3-8H,18H2,1-2H3,(H,19,21)
InChIKeyCCACLJJJKUALFE-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-chlorobenzamide
CID 107596191
3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
CID 61090837
3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide
CID 107600677
3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79041488
3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride
CID 50851045
3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide
CID 61091528
N-(2-bromo-6-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 107600810
2-amino-N-(2-bromo-6-fluorophenyl)-5-fluorobenzamide
CID 107596162
3-amino-N-(2-bromo-6-fluorophenyl)thiophene-2-carboxamide
CID 107596209
3-amino-4-(dimethylamino)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide
CID 59202372

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide?
The IUPAC name of 3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide (CID 107596229) is 3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide?
The canonical SMILES for 3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2c(F)cccc2Br)cc1N.
What is the InChIKey of 3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide?
The InChIKey is CCACLJJJKUALFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-20(2)13-7-6-9(8-12(13)18)15(21)19-14-10(16)4-3-5-11(14)17/h3-8H,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide?
3-amino-N-(2-bromo-6-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-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 107596229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).