5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide

C17H18BrNO3 — CID 35979056

IUPAC5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCN(C)C(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C17H18BrNO3/c1-12-3-6-14(7-4-12)22-10-9-19(2)17(21)15-11-13(18)5-8-16(15)20/h3-8,11,20H,9-10H2,1-2H3
InChIKeyIOXNSLFYYGVNDP-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.61
Rot. Bonds5

About 5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide

5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide (PubChem CID 35979056) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
PubChem CID35979056
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCN(C)C(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C17H18BrNO3/c1-12-3-6-14(7-4-12)22-10-9-19(2)17(21)15-11-13(18)5-8-16(15)20/h3-8,11,20H,9-10H2,1-2H3
InChIKeyIOXNSLFYYGVNDP-UHFFFAOYSA-N
XLogP3.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
CID 31284888
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 104872346
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 103747554
2,4-dimethoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 18098220
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
CID 112793987
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27447917
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
N,2,6-trimethyl-N-[2-(4-methylphenoxy)ethyl]quinoline-3-carboxamide
CID 18126231
N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 42987430
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide
CID 60652527

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide (CID 35979056) is 5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide is Cc1ccc(OCCN(C)C(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of 5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
The InChIKey is IOXNSLFYYGVNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-12-3-6-14(7-4-12)22-10-9-19(2)17(21)15-11-13(18)5-8-16(15)20/h3-8,11,20H,9-10H2,1-2H3.
What are the key properties of 5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide has a molecular weight of 364.24 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 35979056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).