N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide

C16H22BrNO2 — CID 65018183

IUPACN-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1CCCCCCC1
InChIInChI=1S/C16H22BrNO2/c1-20-15-10-9-13(17)11-14(15)18-16(19)12-7-5-3-2-4-6-8-12/h9-12H,2-8H2,1H3,(H,18,19)
InChIKeyXZDWXCSYZKPTPM-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.76
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide

N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide (PubChem CID 65018183) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
PubChem CID65018183
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC NameN-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1CCCCCCC1
InChIInChI=1S/C16H22BrNO2/c1-20-15-10-9-13(17)11-14(15)18-16(19)12-7-5-3-2-4-6-8-12/h9-12H,2-8H2,1H3,(H,18,19)
InChIKeyXZDWXCSYZKPTPM-UHFFFAOYSA-N
XLogP4.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
CID 47494478
N-(2-methoxy-5-nitrophenyl)cyclohexanecarboxamide
CID 798555
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
3-(cyclohexanecarbonylamino)-4-methoxybenzenesulfonyl chloride
CID 43140036
1-(5-bromo-2-methoxyphenyl)-3-cyclohexylthiourea
CID 115588071
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
N-(2-methoxy-5-piperidin-1-ylphenyl)cyclobutanecarboxamide
CID 110426214

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide (CID 65018183) is N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide is COc1ccc(Br)cc1NC(=O)C1CCCCCCC1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide?
The InChIKey is XZDWXCSYZKPTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-20-15-10-9-13(17)11-14(15)18-16(19)12-7-5-3-2-4-6-8-12/h9-12H,2-8H2,1H3,(H,18,19).
What are the key properties of N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide?
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide has a molecular weight of 340.26 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide is sourced from PubChem (CID 65018183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).