2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide

C16H24BrNO3 — CID 61026260

IUPAC2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide
SMILESCCCCCCN(CCO)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C16H24BrNO3/c1-3-4-5-6-9-18(10-11-19)16(20)14-12-13(21-2)7-8-15(14)17/h7-8,12,19H,3-6,9-11H2,1-2H3
InChIKeyAAVYXYKOWUKWPG-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.47
Rot. Bonds9

About 2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide

2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide (PubChem CID 61026260) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide
PubChem CID61026260
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide
SMILESCCCCCCN(CCO)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C16H24BrNO3/c1-3-4-5-6-9-18(10-11-19)16(20)14-12-13(21-2)7-8-15(14)17/h7-8,12,19H,3-6,9-11H2,1-2H3
InChIKeyAAVYXYKOWUKWPG-UHFFFAOYSA-N
XLogP3.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.47
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

2,4-dimethoxy-N,N-dioctylbenzamide
CID 139819875
N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 78796018
2-bromo-N-(3-chloropropyl)-N-ethyl-5-methoxybenzamide
CID 113469141
5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 62815261
N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 80662499
N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 103102621
2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
CID 60741091
2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663
2-bromo-N,N-bis(cyanomethyl)-5-methoxybenzamide
CID 60659165
2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 60636105
2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide
CID 18732618
2-bromo-N-hexyl-N-(2-hydroxyethyl)-3-methylbenzamide
CID 103853368

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide (CID 61026260) is 2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide is CCCCCCN(CCO)C(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide?
The InChIKey is AAVYXYKOWUKWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-3-4-5-6-9-18(10-11-19)16(20)14-12-13(21-2)7-8-15(14)17/h7-8,12,19H,3-6,9-11H2,1-2H3.
What are the key properties of 2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide?
2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide has a molecular weight of 358.28 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide is sourced from PubChem (CID 61026260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).