2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide

C15H14BrNO3 — CID 107709609

IUPAC2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(CCO)cc2)cc1Br
InChIInChI=1S/C15H14BrNO3/c16-14-9-12(5-6-13(14)15(17)19)20-11-3-1-10(2-4-11)7-8-18/h1-6,9,18H,7-8H2,(H2,17,19)
InChIKeyJSZKDVCFKNPNKE-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.88
Rot. Bonds5

About 2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide

2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide (PubChem CID 107709609) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide.

Molecular Properties

Compound Name2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide
PubChem CID107709609
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(CCO)cc2)cc1Br
InChIInChI=1S/C15H14BrNO3/c16-14-9-12(5-6-13(14)15(17)19)20-11-3-1-10(2-4-11)7-8-18/h1-6,9,18H,7-8H2,(H2,17,19)
InChIKeyJSZKDVCFKNPNKE-UHFFFAOYSA-N
XLogP2.88
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709587
2-bromo-4-(4-butylphenoxy)benzenecarbothioamide
CID 107278415
2-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709685
4-[4-(2-hydroxyethyl)phenoxy]pyridine-2-carboxamide
CID 107709658
2-bromo-4-(trioxidanyl)benzamide
CID 143797980
2-bromo-N'-hydroxy-4-(4-propylphenoxy)benzenecarboximidamide
CID 107278998
2-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carboxamide
CID 107709590
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
2-methyl-4-[4-(methylaminomethyl)phenoxy]benzamide
CID 106486919
2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboxamide
CID 107709693
N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708950
2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid
CID 107708690

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide?
The IUPAC name of 2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide (CID 107709609) is 2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide.
What is the SMILES notation for 2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide?
The canonical SMILES for 2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(CCO)cc2)cc1Br.
What is the InChIKey of 2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide?
The InChIKey is JSZKDVCFKNPNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-14-9-12(5-6-13(14)15(17)19)20-11-3-1-10(2-4-11)7-8-18/h1-6,9,18H,7-8H2,(H2,17,19).
What are the key properties of 2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide?
2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide has a molecular weight of 336.19 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[4-(2-hydroxyethyl)phenoxy]benzamide is sourced from PubChem (CID 107709609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).