2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide

C16H16BrNO2 — CID 4084140

IUPAC2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCCc1ccc(O)cc1
InChIInChI=1S/C16H16BrNO2/c17-14-3-1-2-13(10-14)11-16(20)18-9-8-12-4-6-15(19)7-5-12/h1-7,10,19H,8-9,11H2,(H,18,20)
InChIKeyANRRHZAOWIDNIR-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.06
Rot. Bonds5

About 2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide

2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide (PubChem CID 4084140) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
PubChem CID4084140
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCCc1ccc(O)cc1
InChIInChI=1S/C16H16BrNO2/c17-14-3-1-2-13(10-14)11-16(20)18-9-8-12-4-6-15(19)7-5-12/h1-7,10,19H,8-9,11H2,(H,18,20)
InChIKeyANRRHZAOWIDNIR-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide (CID 4084140) is 2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide is O=C(Cc1cccc(Br)c1)NCCc1ccc(O)cc1.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The InChIKey is ANRRHZAOWIDNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-14-3-1-2-13(10-14)11-16(20)18-9-8-12-4-6-15(19)7-5-12/h1-7,10,19H,8-9,11H2,(H,18,20).
What are the key properties of 2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 334.21 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 4084140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).