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

C13H11ClFNOS — CID 27770259

IUPAC2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H11ClFNOS/c14-12-8-9(15)3-4-11(12)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyAYKPUXKBLGLSRB-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.51
Rot. Bonds4

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

2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 27770259) has the molecular formula C13H11ClFNOS and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID27770259
Molecular FormulaC13H11ClFNOS
Molecular Weight283.75 g/mol
Exact Mass283.02
IUPAC Name2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H11ClFNOS/c14-12-8-9(15)3-4-11(12)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyAYKPUXKBLGLSRB-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide (CID 27770259) is 2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is AYKPUXKBLGLSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNOS/c14-12-8-9(15)3-4-11(12)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6H2,(H,16,17).
What are the key properties of 2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide?
2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 283.75 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 27770259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).