2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide

C16H22BrNO3 — CID 61150115

IUPAC2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCCOC2CCCCC2)c1
InChIInChI=1S/C16H22BrNO3/c1-20-13-7-8-15(17)14(11-13)16(19)18-9-10-21-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19)
InChIKeyOVKYOCODFKBWRE-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.54
Rot. Bonds6

About 2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide

2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide (PubChem CID 61150115) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide
PubChem CID61150115
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCCOC2CCCCC2)c1
InChIInChI=1S/C16H22BrNO3/c1-20-13-7-8-15(17)14(11-13)16(19)18-9-10-21-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19)
InChIKeyOVKYOCODFKBWRE-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
CID 113238439
5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
CID 115297279
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide
CID 106501857
3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 103995768
N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide
CID 63870800
2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
CID 103763503

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide (CID 61150115) is 2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCCOC2CCCCC2)c1.
What is the InChIKey of 2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide?
The InChIKey is OVKYOCODFKBWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-20-13-7-8-15(17)14(11-13)16(19)18-9-10-21-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide?
2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide has a molecular weight of 356.26 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide is sourced from PubChem (CID 61150115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).