5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide

C17H22BrNO2 — CID 17352908

IUPAC5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide
SMILESCCOc1ccc(Br)cc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H22BrNO2/c1-2-21-16-9-8-14(18)12-15(16)17(20)19-11-10-13-6-4-3-5-7-13/h6,8-9,12H,2-5,7,10-11H2,1H3,(H,19,20)
InChIKeyXJJMBWYEGQDMFV-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.47
Rot. Bonds6

About 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide

5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide (PubChem CID 17352908) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide
PubChem CID17352908
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide
SMILESCCOc1ccc(Br)cc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H22BrNO2/c1-2-21-16-9-8-14(18)12-15(16)17(20)19-11-10-13-6-4-3-5-7-13/h6,8-9,12H,2-5,7,10-11H2,1H3,(H,19,20)
InChIKeyXJJMBWYEGQDMFV-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-2-hexoxybenzamide
CID 17343665
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
CID 61118160
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27448613
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807780
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 25469750
5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 18286511
3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide
CID 17351627
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
5-bromo-N-cyclopropyl-2-ethoxybenzamide
CID 135563587
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea
CID 86998860
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973607

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide?
The IUPAC name of 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide (CID 17352908) is 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide.
What is the SMILES notation for 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide?
The canonical SMILES for 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide is CCOc1ccc(Br)cc1C(=O)NCCC1=CCCCC1.
What is the InChIKey of 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide?
The InChIKey is XJJMBWYEGQDMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-2-21-16-9-8-14(18)12-15(16)17(20)19-11-10-13-6-4-3-5-7-13/h6,8-9,12H,2-5,7,10-11H2,1H3,(H,19,20).
What are the key properties of 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide?
5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide has a molecular weight of 352.27 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide is sourced from PubChem (CID 17352908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).