2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide

C14H14BrNO2S — CID 71782384

IUPAC2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1ccccc1Br)c1cccs1
InChIInChI=1S/C14H14BrNO2S/c1-14(18,12-7-4-8-19-12)9-16-13(17)10-5-2-3-6-11(10)15/h2-8,18H,9H2,1H3,(H,16,17)
InChIKeyRRVJEXIUGRXKHP-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.15
Rot. Bonds4

About 2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide

2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide (PubChem CID 71782384) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
PubChem CID71782384
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1ccccc1Br)c1cccs1
InChIInChI=1S/C14H14BrNO2S/c1-14(18,12-7-4-8-19-12)9-16-13(17)10-5-2-3-6-11(10)15/h2-8,18H,9H2,1H3,(H,16,17)
InChIKeyRRVJEXIUGRXKHP-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide (CID 71782384) is 2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide is CC(O)(CNC(=O)c1ccccc1Br)c1cccs1.
What is the InChIKey of 2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide?
The InChIKey is RRVJEXIUGRXKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-14(18,12-7-4-8-19-12)9-16-13(17)10-5-2-3-6-11(10)15/h2-8,18H,9H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide?
2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide has a molecular weight of 340.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 71782384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).