2-bromo-N-cyclooctyl-4-fluorobenzamide

C15H19BrFNO — CID 24693747

IUPAC2-bromo-N-cyclooctyl-4-fluorobenzamide
SMILESO=C(NC1CCCCCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C15H19BrFNO/c16-14-10-11(17)8-9-13(14)15(19)18-12-6-4-2-1-3-5-7-12/h8-10,12H,1-7H2,(H,18,19)
InChIKeyRKQATAWIYBGYRQ-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.43
Rot. Bonds2

About 2-bromo-N-cyclooctyl-4-fluorobenzamide

2-bromo-N-cyclooctyl-4-fluorobenzamide (PubChem CID 24693747) has the molecular formula C15H19BrFNO and a molecular weight of 328.22 g/mol. Its IUPAC name is 2-bromo-N-cyclooctyl-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclooctyl-4-fluorobenzamide
PubChem CID24693747
Molecular FormulaC15H19BrFNO
Molecular Weight328.22 g/mol
Exact Mass327.06
IUPAC Name2-bromo-N-cyclooctyl-4-fluorobenzamide
SMILESO=C(NC1CCCCCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C15H19BrFNO/c16-14-10-11(17)8-9-13(14)15(19)18-12-6-4-2-1-3-5-7-12/h8-10,12H,1-7H2,(H,18,19)
InChIKeyRKQATAWIYBGYRQ-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2-amino-N-cycloheptyl-4-fluorobenzamide
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CID 51219889
N-cyclobutyl-2,4-difluorobenzamide
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2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide
CID 64741558
2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
CID 106444049
5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 62815067
(2-bromo-4-fluorophenyl)-cyclohexylmethanone
CID 114962193
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
CID 81486052
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
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4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
2-bromo-N-[3-(cyclopropylamino)propyl]-4-fluorobenzamide
CID 43596377

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclooctyl-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-cyclooctyl-4-fluorobenzamide (CID 24693747) is 2-bromo-N-cyclooctyl-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-cyclooctyl-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-cyclooctyl-4-fluorobenzamide is O=C(NC1CCCCCCC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-cyclooctyl-4-fluorobenzamide?
The InChIKey is RKQATAWIYBGYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c16-14-10-11(17)8-9-13(14)15(19)18-12-6-4-2-1-3-5-7-12/h8-10,12H,1-7H2,(H,18,19).
What are the key properties of 2-bromo-N-cyclooctyl-4-fluorobenzamide?
2-bromo-N-cyclooctyl-4-fluorobenzamide has a molecular weight of 328.22 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclooctyl-4-fluorobenzamide is sourced from PubChem (CID 24693747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).