4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide

C11H14BrNO4 — CID 43392944

IUPAC4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCCO)cc(OC)c1Br
InChIInChI=1S/C11H14BrNO4/c1-16-8-5-7(11(15)13-3-4-14)6-9(17-2)10(8)12/h5-6,14H,3-4H2,1-2H3,(H,13,15)
InChIKeyYRWLRPLGAROQHG-UHFFFAOYSA-N
MW304.14 g/mol
LogP1.19
Rot. Bonds5

About 4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide

4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide (PubChem CID 43392944) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
PubChem CID43392944
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCCO)cc(OC)c1Br
InChIInChI=1S/C11H14BrNO4/c1-16-8-5-7(11(15)13-3-4-14)6-9(17-2)10(8)12/h5-6,14H,3-4H2,1-2H3,(H,13,15)
InChIKeyYRWLRPLGAROQHG-UHFFFAOYSA-N
XLogP1.19
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3,5-dimethoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499922
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119494813
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxybenzamide
CID 103772465
4-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80537436
4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 83031498
4-bromo-N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethoxybenzamide
CID 104857145
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657
4-bromo-N-(2-chloroprop-2-enyl)-3,5-dimethoxybenzamide
CID 115636723
4-ethyl-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 129196340
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
3-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167441

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide (CID 43392944) is 4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide is COc1cc(C(=O)NCCO)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide?
The InChIKey is YRWLRPLGAROQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-16-8-5-7(11(15)13-3-4-14)6-9(17-2)10(8)12/h5-6,14H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide?
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide has a molecular weight of 304.14 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 43392944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).