2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide

C15H22BrNO3 — CID 111115894

IUPAC2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide
SMILESCCC(CC)C(O)CNC(=O)c1ccc(OC)cc1Br
InChIInChI=1S/C15H22BrNO3/c1-4-10(5-2)14(18)9-17-15(19)12-7-6-11(20-3)8-13(12)16/h6-8,10,14,18H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyQSWNNMXQHGXAPH-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.98
Rot. Bonds7

About 2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide

2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide (PubChem CID 111115894) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide
PubChem CID111115894
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide
SMILESCCC(CC)C(O)CNC(=O)c1ccc(OC)cc1Br
InChIInChI=1S/C15H22BrNO3/c1-4-10(5-2)14(18)9-17-15(19)12-7-6-11(20-3)8-13(12)16/h6-8,10,14,18H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyQSWNNMXQHGXAPH-UHFFFAOYSA-N
XLogP2.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
CID 106284093
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335
2-bromo-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-methoxybenzamide
CID 95160183
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
N-(3-ethyl-2-hydroxypentyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 111115760
2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 107952235
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide
CID 113276353
N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide
CID 111116005
N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide
CID 115701620
N-(2-aminobutyl)-2,4-dimethoxybenzamide
CID 63731362
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide?
The IUPAC name of 2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide (CID 111115894) is 2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide is CCC(CC)C(O)CNC(=O)c1ccc(OC)cc1Br.
What is the InChIKey of 2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide?
The InChIKey is QSWNNMXQHGXAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-4-10(5-2)14(18)9-17-15(19)12-7-6-11(20-3)8-13(12)16/h6-8,10,14,18H,4-5,9H2,1-3H3,(H,17,19).
What are the key properties of 2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide?
2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide has a molecular weight of 344.25 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide is sourced from PubChem (CID 111115894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).