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

C14H14ClNO2S — CID 86264083

IUPAC2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
SMILESO=C(NCCC(O)c1ccsc1)c1ccccc1Cl
InChIInChI=1S/C14H14ClNO2S/c15-12-4-2-1-3-11(12)14(18)16-7-5-13(17)10-6-8-19-9-10/h1-4,6,8-9,13,17H,5,7H2,(H,16,18)
InChIKeyGEPIUTMWSOOXSA-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.26
Rot. Bonds5

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

2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide (PubChem CID 86264083) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
PubChem CID86264083
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
SMILESO=C(NCCC(O)c1ccsc1)c1ccccc1Cl
InChIInChI=1S/C14H14ClNO2S/c15-12-4-2-1-3-11(12)14(18)16-7-5-13(17)10-6-8-19-9-10/h1-4,6,8-9,13,17H,5,7H2,(H,16,18)
InChIKeyGEPIUTMWSOOXSA-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide (CID 86264083) is 2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide is O=C(NCCC(O)c1ccsc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide?
The InChIKey is GEPIUTMWSOOXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-12-4-2-1-3-11(12)14(18)16-7-5-13(17)10-6-8-19-9-10/h1-4,6,8-9,13,17H,5,7H2,(H,16,18).
What are the key properties of 2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide?
2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide has a molecular weight of 295.79 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide is sourced from PubChem (CID 86264083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).