N-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide

C13H13FN2OS — CID 66384893

IUPACN-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1ccccc1F
InChIInChI=1S/C13H13FN2OS/c1-9(17)16-12-6-7-18-13(12)8-15-11-5-3-2-4-10(11)14/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyAUHRFHKFYXMHJK-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.46
Rot. Bonds4

About N-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide

N-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide (PubChem CID 66384893) has the molecular formula C13H13FN2OS and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide
PubChem CID66384893
Molecular FormulaC13H13FN2OS
Molecular Weight264.33 g/mol
Exact Mass264.07
IUPAC NameN-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1ccccc1F
InChIInChI=1S/C13H13FN2OS/c1-9(17)16-12-6-7-18-13(12)8-15-11-5-3-2-4-10(11)14/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyAUHRFHKFYXMHJK-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide (CID 66384893) is N-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNc1ccccc1F.
What is the InChIKey of N-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide?
The InChIKey is AUHRFHKFYXMHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-9(17)16-12-6-7-18-13(12)8-15-11-5-3-2-4-10(11)14/h2-7,15H,8H2,1H3,(H,16,17).
What are the key properties of N-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide?
N-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide has a molecular weight of 264.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluoroanilino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66384893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).