5-bromo-2-fluoro-N-(7-methyloctyl)benzamide

C16H23BrFNO — CID 63525308

IUPAC5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
SMILESCC(C)CCCCCCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H23BrFNO/c1-12(2)7-5-3-4-6-10-19-16(20)14-11-13(17)8-9-15(14)18/h8-9,11-12H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyIOTHDPMHFPJJQR-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.92
Rot. Bonds8

About 5-bromo-2-fluoro-N-(7-methyloctyl)benzamide

5-bromo-2-fluoro-N-(7-methyloctyl)benzamide (PubChem CID 63525308) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(7-methyloctyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
PubChem CID63525308
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
SMILESCC(C)CCCCCCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H23BrFNO/c1-12(2)7-5-3-4-6-10-19-16(20)14-11-13(17)8-9-15(14)18/h8-9,11-12H,3-7,10H2,1-2H3,(H,19,20)
InChIKeyIOTHDPMHFPJJQR-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(7-methyloctyl)benzamide
CID 114371952
5-bromo-N-(4-cyanobutyl)-2-fluorobenzamide
CID 63284457
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
CID 120827060
5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593777
5-bromo-2-fluoro-N-octan-2-ylbenzamide
CID 55222984
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
CID 139467608
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
3-[(5-bromo-2-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62677096
5-bromo-N-(2,3-dimethylbutyl)-2-fluorobenzamide
CID 64597105
3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
CID 107814586

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(7-methyloctyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(7-methyloctyl)benzamide (CID 63525308) is 5-bromo-2-fluoro-N-(7-methyloctyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(7-methyloctyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(7-methyloctyl)benzamide is CC(C)CCCCCCNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(7-methyloctyl)benzamide?
The InChIKey is IOTHDPMHFPJJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-12(2)7-5-3-4-6-10-19-16(20)14-11-13(17)8-9-15(14)18/h8-9,11-12H,3-7,10H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-2-fluoro-N-(7-methyloctyl)benzamide?
5-bromo-2-fluoro-N-(7-methyloctyl)benzamide has a molecular weight of 344.27 g/mol, XLogP of 4.92, 8 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-(7-methyloctyl)benzamide is sourced from PubChem (CID 63525308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).