2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide

C13H12ClFN2OS — CID 26508404

IUPAC2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1F)NCc1cccs1
InChIInChI=1S/C13H12ClFN2OS/c14-9-3-4-12(11(15)6-9)16-8-13(18)17-7-10-2-1-5-19-10/h1-6,16H,7-8H2,(H,17,18)
InChIKeyPMCLABVTLHBCDN-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.27
Rot. Bonds5

About 2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide

2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 26508404) has the molecular formula C13H12ClFN2OS and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID26508404
Molecular FormulaC13H12ClFN2OS
Molecular Weight298.77 g/mol
Exact Mass298.03
IUPAC Name2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1F)NCc1cccs1
InChIInChI=1S/C13H12ClFN2OS/c14-9-3-4-12(11(15)6-9)16-8-13(18)17-7-10-2-1-5-19-10/h1-6,16H,7-8H2,(H,17,18)
InChIKeyPMCLABVTLHBCDN-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide (CID 26508404) is 2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide is O=C(CNc1ccc(Cl)cc1F)NCc1cccs1.
What is the InChIKey of 2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PMCLABVTLHBCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2OS/c14-9-3-4-12(11(15)6-9)16-8-13(18)17-7-10-2-1-5-19-10/h1-6,16H,7-8H2,(H,17,18).
What are the key properties of 2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 298.77 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoroanilino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 26508404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).