4-chloro-N-(2-thiophen-2-ylethyl)benzamide

C13H12ClNOS — CID 2732263

IUPAC4-chloro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNOS/c14-11-5-3-10(4-6-11)13(16)15-8-7-12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16)
InChIKeyITMBTJQIAIYUHZ-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.37
Rot. Bonds4

About 4-chloro-N-(2-thiophen-2-ylethyl)benzamide

4-chloro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 2732263) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 4-chloro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID2732263
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name4-chloro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNOS/c14-11-5-3-10(4-6-11)13(16)15-8-7-12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16)
InChIKeyITMBTJQIAIYUHZ-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-chloro-N-(2-thiophen-2-ylethyl)benzamide (CID 2732263) is 4-chloro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is ITMBTJQIAIYUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c14-11-5-3-10(4-6-11)13(16)15-8-7-12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16).
What are the key properties of 4-chloro-N-(2-thiophen-2-ylethyl)benzamide?
4-chloro-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 265.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 2732263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).