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

C15H14BrFN2O — CID 107952935

IUPAC3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
SMILESCN(C)c1cccc(NC(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H14BrFN2O/c1-19(2)12-5-3-4-11(9-12)18-15(20)10-6-7-14(17)13(16)8-10/h3-9H,1-2H3,(H,18,20)
InChIKeyCZQJGGJAWILXNA-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.91
Rot. Bonds3

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

3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide (PubChem CID 107952935) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
PubChem CID107952935
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
SMILESCN(C)c1cccc(NC(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H14BrFN2O/c1-19(2)12-5-3-4-11(9-12)18-15(20)10-6-7-14(17)13(16)8-10/h3-9H,1-2H3,(H,18,20)
InChIKeyCZQJGGJAWILXNA-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_I(4)', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115377777
3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 103710619
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
CID 103706368
5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78906644
3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
CID 103706508
N-[3-(aminomethyl)phenyl]-3-bromo-4-fluorobenzamide
CID 103804951
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide (CID 107952935) is 3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide is CN(C)c1cccc(NC(=O)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide?
The InChIKey is CZQJGGJAWILXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-19(2)12-5-3-4-11(9-12)18-15(20)10-6-7-14(17)13(16)8-10/h3-9H,1-2H3,(H,18,20).
What are the key properties of 3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide?
3-bromo-N-[3-(dimethylamino)phenyl]-4-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-[3-(dimethylamino)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 107952935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).