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

C15H14BrFN2O — CID 106543999

IUPAC3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(Br)c2F)cc1
InChIInChI=1S/C15H14BrFN2O/c1-19(2)11-8-6-10(7-9-11)18-15(20)12-4-3-5-13(16)14(12)17/h3-9H,1-2H3,(H,18,20)
InChIKeyWYKAJZCMKORXGI-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.91
Rot. Bonds3

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

3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide (PubChem CID 106543999) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
PubChem CID106543999
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(Br)c2F)cc1
InChIInChI=1S/C15H14BrFN2O/c1-19(2)11-8-6-10(7-9-11)18-15(20)12-4-3-5-13(16)14(12)17/h3-9H,1-2H3,(H,18,20)
InChIKeyWYKAJZCMKORXGI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide
CID 106544263
2-[(2-bromobenzoyl)amino]-N-[4-(dimethylamino)phenyl]benzamide
CID 78791161
3-bromo-2-fluoro-N-(4-formylphenyl)benzamide
CID 114019860
3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106544738
N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide
CID 62660783
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
CID 107948876
3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 106544979
3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 107951997
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 106544218

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide (CID 106543999) is 3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide is CN(C)c1ccc(NC(=O)c2cccc(Br)c2F)cc1.
What is the InChIKey of 3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide?
The InChIKey is WYKAJZCMKORXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-19(2)11-8-6-10(7-9-11)18-15(20)12-4-3-5-13(16)14(12)17/h3-9H,1-2H3,(H,18,20).
What are the key properties of 3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide?
3-bromo-N-[4-(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-[4-(dimethylamino)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 106543999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).