2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide

C12H10BrNO2S — CID 20776955

IUPAC2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc(O)ccc1Br
InChIInChI=1S/C12H10BrNO2S/c13-11-4-3-8(15)6-10(11)12(16)14-7-9-2-1-5-17-9/h1-6,15H,7H2,(H,14,16)
InChIKeyKJWPEYDGHVSLNP-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.15
Rot. Bonds3

About 2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide

2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 20776955) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID20776955
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc(O)ccc1Br
InChIInChI=1S/C12H10BrNO2S/c13-11-4-3-8(15)6-10(11)12(16)14-7-9-2-1-5-17-9/h1-6,15H,7H2,(H,14,16)
InChIKeyKJWPEYDGHVSLNP-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide 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-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide (CID 20776955) is 2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1cc(O)ccc1Br.
What is the InChIKey of 2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is KJWPEYDGHVSLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c13-11-4-3-8(15)6-10(11)12(16)14-7-9-2-1-5-17-9/h1-6,15H,7H2,(H,14,16).
What are the key properties of 2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide?
2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 312.19 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 20776955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).