3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide

C14H13Cl2NO2S — CID 111452323

IUPAC3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccsc1
InChIInChI=1S/C14H13Cl2NO2S/c1-14(19,10-4-5-20-7-10)8-17-13(18)9-2-3-11(15)12(16)6-9/h2-7,19H,8H2,1H3,(H,17,18)
InChIKeyCFOMUXUPCJOHBJ-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.69
Rot. Bonds4

About 3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide

3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide (PubChem CID 111452323) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
PubChem CID111452323
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccsc1
InChIInChI=1S/C14H13Cl2NO2S/c1-14(19,10-4-5-20-7-10)8-17-13(18)9-2-3-11(15)12(16)6-9/h2-7,19H,8H2,1H3,(H,17,18)
InChIKeyCFOMUXUPCJOHBJ-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide
CID 111452010
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide
CID 111452131
N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 111452101
4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452036

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide (CID 111452323) is 3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide is CC(O)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccsc1.
What is the InChIKey of 3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
The InChIKey is CFOMUXUPCJOHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-14(19,10-4-5-20-7-10)8-17-13(18)9-2-3-11(15)12(16)6-9/h2-7,19H,8H2,1H3,(H,17,18).
What are the key properties of 3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide has a molecular weight of 330.24 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide is sourced from PubChem (CID 111452323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).