3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide

C14H14BrNO2S — CID 111452155

IUPAC3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1cccc(Br)c1)c1ccsc1
InChIInChI=1S/C14H14BrNO2S/c1-14(18,11-5-6-19-8-11)9-16-13(17)10-3-2-4-12(15)7-10/h2-8,18H,9H2,1H3,(H,16,17)
InChIKeyCMTWSQHJCMZFFL-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.15
Rot. Bonds4

About 3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide

3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide (PubChem CID 111452155) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
PubChem CID111452155
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1cccc(Br)c1)c1ccsc1
InChIInChI=1S/C14H14BrNO2S/c1-14(18,11-5-6-19-8-11)9-16-13(17)10-3-2-4-12(15)7-10/h2-8,18H,9H2,1H3,(H,16,17)
InChIKeyCMTWSQHJCMZFFL-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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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide
CID 111452131
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
N-ethyl-3-[[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111654361
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide
CID 111452010
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291619
2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451668
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
The IUPAC name of 3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide (CID 111452155) is 3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide is CC(O)(CNC(=O)c1cccc(Br)c1)c1ccsc1.
What is the InChIKey of 3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
The InChIKey is CMTWSQHJCMZFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-14(18,11-5-6-19-8-11)9-16-13(17)10-3-2-4-12(15)7-10/h2-8,18H,9H2,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
3-bromo-N-(2-hydroxy-2-thiophen-3-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 3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide is sourced from PubChem (CID 111452155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).