2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide

C16H24BrNO2 — CID 103853368

IUPAC2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide
SMILESCCCCCCN(CCO)C(=O)c1cccc(C)c1Br
InChIInChI=1S/C16H24BrNO2/c1-3-4-5-6-10-18(11-12-19)16(20)14-9-7-8-13(2)15(14)17/h7-9,19H,3-6,10-12H2,1-2H3
InChIKeyMXTRZOWGPCPKHX-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.77
Rot. Bonds8

About 2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide

2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide (PubChem CID 103853368) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide
PubChem CID103853368
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide
SMILESCCCCCCN(CCO)C(=O)c1cccc(C)c1Br
InChIInChI=1S/C16H24BrNO2/c1-3-4-5-6-10-18(11-12-19)16(20)14-9-7-8-13(2)15(14)17/h7-9,19H,3-6,10-12H2,1-2H3
InChIKeyMXTRZOWGPCPKHX-UHFFFAOYSA-N
XLogP3.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N,N-dipentylbenzamide
CID 4576290
2-[hexyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60949991
2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 107982464
3-bromo-N-butyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 113365401
N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide
CID 61400671
2-bromo-6-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 114559534
N,N-bis(2-hydroxyethyl)-2,3-dimethylbenzamide
CID 60653153
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350
2-bromo-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 88634155
N-(2-hydroxyethyl)-3-methyl-N-pentyl-1,2-thiazole-4-carboxamide
CID 110028178
2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 61026260

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide (CID 103853368) is 2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide is CCCCCCN(CCO)C(=O)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide?
The InChIKey is MXTRZOWGPCPKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-3-4-5-6-10-18(11-12-19)16(20)14-9-7-8-13(2)15(14)17/h7-9,19H,3-6,10-12H2,1-2H3.
What are the key properties of 2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide?
2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide has a molecular weight of 342.28 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide is sourced from PubChem (CID 103853368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).