2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide

C14H13ClFNOS — CID 71806698

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCc1ccsc1
InChIInChI=1S/C14H13ClFNOS/c15-12-2-1-3-13(16)11(12)8-14(18)17-6-4-10-5-7-19-9-10/h1-3,5,7,9H,4,6,8H2,(H,17,18)
InChIKeyONYYBYHVSXJYQU-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.44
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide (PubChem CID 71806698) has the molecular formula C14H13ClFNOS and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide
PubChem CID71806698
Molecular FormulaC14H13ClFNOS
Molecular Weight297.78 g/mol
Exact Mass297.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCCc1ccsc1
InChIInChI=1S/C14H13ClFNOS/c15-12-2-1-3-13(16)11(12)8-14(18)17-6-4-10-5-7-19-9-10/h1-3,5,7,9H,4,6,8H2,(H,17,18)
InChIKeyONYYBYHVSXJYQU-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide (CID 71806698) is 2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide is O=C(Cc1c(F)cccc1Cl)NCCc1ccsc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide?
The InChIKey is ONYYBYHVSXJYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNOS/c15-12-2-1-3-13(16)11(12)8-14(18)17-6-4-10-5-7-19-9-10/h1-3,5,7,9H,4,6,8H2,(H,17,18).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide has a molecular weight of 297.78 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 71806698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).