2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide

C14H15FN2OS — CID 31666377

IUPAC2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CNc1ccccc1F)NCCc1cccs1
InChIInChI=1S/C14H15FN2OS/c15-12-5-1-2-6-13(12)17-10-14(18)16-8-7-11-4-3-9-19-11/h1-6,9,17H,7-8,10H2,(H,16,18)
InChIKeyKJQMTWAYJZLJSW-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.66
Rot. Bonds6

About 2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide

2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 31666377) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID31666377
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CNc1ccccc1F)NCCc1cccs1
InChIInChI=1S/C14H15FN2OS/c15-12-5-1-2-6-13(12)17-10-14(18)16-8-7-11-4-3-9-19-11/h1-6,9,17H,7-8,10H2,(H,16,18)
InChIKeyKJQMTWAYJZLJSW-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide (CID 31666377) is 2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide is O=C(CNc1ccccc1F)NCCc1cccs1.
What is the InChIKey of 2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is KJQMTWAYJZLJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c15-12-5-1-2-6-13(12)17-10-14(18)16-8-7-11-4-3-9-19-11/h1-6,9,17H,7-8,10H2,(H,16,18).
What are the key properties of 2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide?
2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 31666377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).