5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide

C12H15BrFNO — CID 146171179

IUPAC5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide
SMILESCCN(CC)C(=O)c1cc(Br)c(C)cc1F
InChIInChI=1S/C12H15BrFNO/c1-4-15(5-2)12(16)9-7-10(13)8(3)6-11(9)14/h6-7H,4-5H2,1-3H3
InChIKeyQXJXHWGRZYBLMA-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.38
Rot. Bonds3

About 5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide

5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide (PubChem CID 146171179) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide
PubChem CID146171179
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide
SMILESCCN(CC)C(=O)c1cc(Br)c(C)cc1F
InChIInChI=1S/C12H15BrFNO/c1-4-15(5-2)12(16)9-7-10(13)8(3)6-11(9)14/h6-7H,4-5H2,1-3H3
InChIKeyQXJXHWGRZYBLMA-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-fluoro-N,N,4-trimethylbenzamide
CID 146171178
4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65388148
2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
CID 84705512
2-bromo-5-[ethyl(2-methylpropyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371490
4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide
CID 166390787
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
N,N,4-triethyl-2-fluorobenzamide
CID 69055558
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone
CID 131292332
N,N-diethyl-3,5-difluoro-2-formylbenzamide
CID 82544316

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide?
The IUPAC name of 5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide (CID 146171179) is 5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide.
What is the SMILES notation for 5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide?
The canonical SMILES for 5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide is CCN(CC)C(=O)c1cc(Br)c(C)cc1F.
What is the InChIKey of 5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide?
The InChIKey is QXJXHWGRZYBLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-4-15(5-2)12(16)9-7-10(13)8(3)6-11(9)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide?
5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide has a molecular weight of 288.16 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 146171179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).