4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide

C15H13Br2FN2O — CID 63526166

IUPAC4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H13Br2FN2O/c1-20(2)14-6-4-10(16)8-13(14)19-15(21)9-3-5-11(17)12(18)7-9/h3-8H,1-2H3,(H,19,21)
InChIKeyWJDVWVCHCYPTPI-UHFFFAOYSA-N
MW416.09 g/mol
LogP4.67
Rot. Bonds3

About 4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide

4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide (PubChem CID 63526166) has the molecular formula C15H13Br2FN2O and a molecular weight of 416.09 g/mol. Its IUPAC name is 4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
PubChem CID63526166
Molecular FormulaC15H13Br2FN2O
Molecular Weight416.09 g/mol
Exact Mass413.94
IUPAC Name4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H13Br2FN2O/c1-20(2)14-6-4-10(16)8-13(14)19-15(21)9-3-5-11(17)12(18)7-9/h3-8H,1-2H3,(H,19,21)
InChIKeyWJDVWVCHCYPTPI-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.09
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[(4-bromo-3-fluorobenzoyl)amino]benzoic acid
CID 63405102
3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
CID 61090837
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
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CID 78948597
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
CID 113092466
N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860296
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide
CID 63110560
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
CID 78807126
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide (CID 63526166) is 4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide is CN(C)c1ccc(Br)cc1NC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide?
The InChIKey is WJDVWVCHCYPTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FN2O/c1-20(2)14-6-4-10(16)8-13(14)19-15(21)9-3-5-11(17)12(18)7-9/h3-8H,1-2H3,(H,19,21).
What are the key properties of 4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide?
4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide has a molecular weight of 416.09 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 63526166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).