2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide

C13H12BrFN2OS — CID 102840245

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide
SMILESCc1sc(C(Nc2ccc(F)cc2)C(N)=O)cc1Br
InChIInChI=1S/C13H12BrFN2OS/c1-7-10(14)6-11(19-7)12(13(16)18)17-9-4-2-8(15)3-5-9/h2-6,12,17H,1H3,(H2,16,18)
InChIKeyZSHGBUBMVUMSIG-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide

2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide (PubChem CID 102840245) has the molecular formula C13H12BrFN2OS and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide
PubChem CID102840245
Molecular FormulaC13H12BrFN2OS
Molecular Weight343.22 g/mol
Exact Mass341.98
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide
SMILESCc1sc(C(Nc2ccc(F)cc2)C(N)=O)cc1Br
InChIInChI=1S/C13H12BrFN2OS/c1-7-10(14)6-11(19-7)12(13(16)18)17-9-4-2-8(15)3-5-9/h2-6,12,17H,1H3,(H2,16,18)
InChIKeyZSHGBUBMVUMSIG-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide
CID 102840307
2-(4-bromo-3-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 66480971
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-fluoroanilino)acetate
CID 102840732
methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
CID 102840834
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
2-(4-bromo-5-methylthiophen-2-yl)-2-hydroxyacetamide
CID 102843536
2-(5-bromo-2-fluorophenyl)-2-(4-fluoroanilino)acetamide
CID 61004958
2-(4-fluoroanilino)-2-(3-fluoro-4-methylphenyl)acetamide
CID 63649606
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)acetamide
CID 61005627
2-(5-fluoro-2-hydroxyphenyl)-2-(4-methylanilino)acetamide
CID 107698125
2-(4-fluoroanilino)-2-(3-hydroxyphenyl)acetamide
CID 54892208
2-(5-bromothiophen-2-yl)-2-(3-methylanilino)acetamide
CID 61345224

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide (CID 102840245) is 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide is Cc1sc(C(Nc2ccc(F)cc2)C(N)=O)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide?
The InChIKey is ZSHGBUBMVUMSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2OS/c1-7-10(14)6-11(19-7)12(13(16)18)17-9-4-2-8(15)3-5-9/h2-6,12,17H,1H3,(H2,16,18).
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide?
2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide has a molecular weight of 343.22 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 102840245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).