4-bromo-N-cyclooctylbenzamide

C15H20BrNO — CID 902872

IUPAC4-bromo-N-cyclooctylbenzamide
SMILESO=C(NC1CCCCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO/c16-13-10-8-12(9-11-13)15(18)17-14-6-4-2-1-3-5-7-14/h8-11,14H,1-7H2,(H,17,18)
InChIKeyDLIJUJNLPMLBED-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.29
Rot. Bonds2

About 4-bromo-N-cyclooctylbenzamide

4-bromo-N-cyclooctylbenzamide (PubChem CID 902872) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 4-bromo-N-cyclooctylbenzamide.

Molecular Properties

Compound Name4-bromo-N-cyclooctylbenzamide
PubChem CID902872
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name4-bromo-N-cyclooctylbenzamide
SMILESO=C(NC1CCCCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO/c16-13-10-8-12(9-11-13)15(18)17-14-6-4-2-1-3-5-7-14/h8-11,14H,1-7H2,(H,17,18)
InChIKeyDLIJUJNLPMLBED-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-cyclooctylbenzamide 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

4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-(4-bromocyclohexyl)benzamide
CID 114309063
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
N-cyclooctyl-4-methylbenzamide
CID 3995245
4-[[[(4-bromophenyl)-dihydroxymethyl]amino]methyl]-N-cyclooctylbenzamide
CID 90126059
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
N-cyclopentyl-4-sulfanylbenzamide
CID 71194494
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide
CID 110959290
N-cyclohexylpyridine-4-carboxamide
CID 3436730

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclooctylbenzamide?
The IUPAC name of 4-bromo-N-cyclooctylbenzamide (CID 902872) is 4-bromo-N-cyclooctylbenzamide.
What is the SMILES notation for 4-bromo-N-cyclooctylbenzamide?
The canonical SMILES for 4-bromo-N-cyclooctylbenzamide is O=C(NC1CCCCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-cyclooctylbenzamide?
The InChIKey is DLIJUJNLPMLBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-10-8-12(9-11-13)15(18)17-14-6-4-2-1-3-5-7-14/h8-11,14H,1-7H2,(H,17,18).
What are the key properties of 4-bromo-N-cyclooctylbenzamide?
4-bromo-N-cyclooctylbenzamide has a molecular weight of 310.23 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclooctylbenzamide is sourced from PubChem (CID 902872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).