4-bromo-N-cycloheptylbenzamide

C14H18BrNO — CID 2843132

IUPAC4-bromo-N-cycloheptylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO/c15-12-9-7-11(8-10-12)14(17)16-13-5-3-1-2-4-6-13/h7-10,13H,1-6H2,(H,16,17)
InChIKeyHOUGKRWBWFTHFG-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.90
Rot. Bonds2

About 4-bromo-N-cycloheptylbenzamide

4-bromo-N-cycloheptylbenzamide (PubChem CID 2843132) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 4-bromo-N-cycloheptylbenzamide.

Molecular Properties

Compound Name4-bromo-N-cycloheptylbenzamide
PubChem CID2843132
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name4-bromo-N-cycloheptylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO/c15-12-9-7-11(8-10-12)14(17)16-13-5-3-1-2-4-6-13/h7-10,13H,1-6H2,(H,16,17)
InChIKeyHOUGKRWBWFTHFG-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-cyclooctyl-4-methylbenzamide
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4-[[[(4-bromophenyl)-dihydroxymethyl]amino]methyl]-N-cyclooctylbenzamide
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4-amino-N-cyclohexylbenzamide;hydrochloride
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N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
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4-bromo-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cycloheptylbenzamide?
The IUPAC name of 4-bromo-N-cycloheptylbenzamide (CID 2843132) is 4-bromo-N-cycloheptylbenzamide.
What is the SMILES notation for 4-bromo-N-cycloheptylbenzamide?
The canonical SMILES for 4-bromo-N-cycloheptylbenzamide is O=C(NC1CCCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-cycloheptylbenzamide?
The InChIKey is HOUGKRWBWFTHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-12-9-7-11(8-10-12)14(17)16-13-5-3-1-2-4-6-13/h7-10,13H,1-6H2,(H,16,17).
What are the key properties of 4-bromo-N-cycloheptylbenzamide?
4-bromo-N-cycloheptylbenzamide has a molecular weight of 296.21 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cycloheptylbenzamide is sourced from PubChem (CID 2843132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).