5-bromo-2-fluoro-N-octan-2-ylbenzamide

C15H21BrFNO — CID 55222984

IUPAC5-bromo-2-fluoro-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H21BrFNO/c1-3-4-5-6-7-11(2)18-15(19)13-10-12(16)8-9-14(13)17/h8-11H,3-7H2,1-2H3,(H,18,19)
InChIKeyDCTVJLXNHZAMCE-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.68
Rot. Bonds7

About 5-bromo-2-fluoro-N-octan-2-ylbenzamide

5-bromo-2-fluoro-N-octan-2-ylbenzamide (PubChem CID 55222984) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-octan-2-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-octan-2-ylbenzamide
PubChem CID55222984
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name5-bromo-2-fluoro-N-octan-2-ylbenzamide
SMILESCCCCCCC(C)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H21BrFNO/c1-3-4-5-6-7-11(2)18-15(19)13-10-12(16)8-9-14(13)17/h8-11H,3-7H2,1-2H3,(H,18,19)
InChIKeyDCTVJLXNHZAMCE-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-2-fluoro-N-octan-2-ylbenzamide 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-pentan-2-ylbenzamide
CID 24700042
4-bromo-2-hydroxy-N-octan-2-ylbenzamide
CID 55223939
2,4-dibromo-N-heptan-2-ylbenzamide
CID 114019926
5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
CID 55135191
5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
CID 63525308
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 60795149
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
CID 61094469
5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103919695
N-(5-bromopentan-2-yl)-2,5-difluorobenzamide
CID 114316646
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
5-bromo-2-fluoro-N-heptan-2-ylaniline
CID 43555241

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-octan-2-ylbenzamide?
The IUPAC name of 5-bromo-2-fluoro-N-octan-2-ylbenzamide (CID 55222984) is 5-bromo-2-fluoro-N-octan-2-ylbenzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-octan-2-ylbenzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-octan-2-ylbenzamide is CCCCCCC(C)NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-octan-2-ylbenzamide?
The InChIKey is DCTVJLXNHZAMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-3-4-5-6-7-11(2)18-15(19)13-10-12(16)8-9-14(13)17/h8-11H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-2-fluoro-N-octan-2-ylbenzamide?
5-bromo-2-fluoro-N-octan-2-ylbenzamide has a molecular weight of 330.24 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-octan-2-ylbenzamide is sourced from PubChem (CID 55222984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).