2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide

C12H10BrFN2OS — CID 112739751

IUPAC2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide
SMILESNC(=O)C(Nc1ccccc1F)c1csc(Br)c1
InChIInChI=1S/C12H10BrFN2OS/c13-10-5-7(6-18-10)11(12(15)17)16-9-4-2-1-3-8(9)14/h1-6,11,16H,(H2,15,17)
InChIKeyVIAKWIAEZPXZNV-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.29
Rot. Bonds4

About 2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide

2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide (PubChem CID 112739751) has the molecular formula C12H10BrFN2OS and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide.

Molecular Properties

Compound Name2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide
PubChem CID112739751
Molecular FormulaC12H10BrFN2OS
Molecular Weight329.19 g/mol
Exact Mass327.97
IUPAC Name2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide
SMILESNC(=O)C(Nc1ccccc1F)c1csc(Br)c1
InChIInChI=1S/C12H10BrFN2OS/c13-10-5-7(6-18-10)11(12(15)17)16-9-4-2-1-3-8(9)14/h1-6,11,16H,(H2,15,17)
InChIKeyVIAKWIAEZPXZNV-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
2-(2-fluoroanilino)-2-(4-fluoro-3-methylphenyl)acetamide
CID 62122201
2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid
CID 61347771
2-(4-ethylphenyl)-2-(2-fluoroanilino)acetamide
CID 60997046
2-(5-chloro-2-fluorophenyl)-2-(2-fluoroanilino)acetamide
CID 114843546
2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetamide
CID 61347940
2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid
CID 54890559
2-(2-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937351
2-(2-fluoroanilino)butanamide
CID 60995502
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid
CID 115527074
2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid
CID 107690254

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide?
The IUPAC name of 2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide (CID 112739751) is 2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide.
What is the SMILES notation for 2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide?
The canonical SMILES for 2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide is NC(=O)C(Nc1ccccc1F)c1csc(Br)c1.
What is the InChIKey of 2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide?
The InChIKey is VIAKWIAEZPXZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2OS/c13-10-5-7(6-18-10)11(12(15)17)16-9-4-2-1-3-8(9)14/h1-6,11,16H,(H2,15,17).
What are the key properties of 2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide?
2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide has a molecular weight of 329.19 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide is sourced from PubChem (CID 112739751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).