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

C15H14BrFN2O — CID 78906644

IUPAC5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
SMILESCN(C)c1cccc(NC(=O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrFN2O/c1-19(2)12-5-3-4-11(9-12)18-15(20)13-8-10(16)6-7-14(13)17/h3-9H,1-2H3,(H,18,20)
InChIKeyPQPFRSRGXJFWNH-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.91
Rot. Bonds3

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

5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide (PubChem CID 78906644) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
PubChem CID78906644
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
SMILESCN(C)c1cccc(NC(=O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrFN2O/c1-19(2)12-5-3-4-11(9-12)18-15(20)13-8-10(16)6-7-14(13)17/h3-9H,1-2H3,(H,18,20)
InChIKeyPQPFRSRGXJFWNH-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

5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115377789
3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 107952935
5-bromo-2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43095783
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
CID 9410966
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793080
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide (CID 78906644) is 5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide is CN(C)c1cccc(NC(=O)c2cc(Br)ccc2F)c1.
What is the InChIKey of 5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide?
The InChIKey is PQPFRSRGXJFWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-19(2)12-5-3-4-11(9-12)18-15(20)13-8-10(16)6-7-14(13)17/h3-9H,1-2H3,(H,18,20).
What are the key properties of 5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide?
5-bromo-N-[3-(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 5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 78906644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).