2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid

C12H9BrFNO2S — CID 61347771

IUPAC2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1ccccc1F)c1cc(Br)cs1
InChIInChI=1S/C12H9BrFNO2S/c13-7-5-10(18-6-7)11(12(16)17)15-9-4-2-1-3-8(9)14/h1-6,11,15H,(H,16,17)
InChIKeyMQNZLSPBXJIVCO-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.89
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid

2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid (PubChem CID 61347771) has the molecular formula C12H9BrFNO2S and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid
PubChem CID61347771
Molecular FormulaC12H9BrFNO2S
Molecular Weight330.18 g/mol
Exact Mass328.95
IUPAC Name2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1ccccc1F)c1cc(Br)cs1
InChIInChI=1S/C12H9BrFNO2S/c13-7-5-10(18-6-7)11(12(16)17)15-9-4-2-1-3-8(9)14/h1-6,11,15H,(H,16,17)
InChIKeyMQNZLSPBXJIVCO-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid
CID 54890559
2-(2-fluoroanilino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61347173
2-(5-bromothiophen-3-yl)-2-(2-fluoroanilino)acetamide
CID 112739751
2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid
CID 60993052
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
(2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid
CID 95866465
2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62132447
2-(2,5-difluoroanilino)-2-phenylacetic acid
CID 58556979
2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid
CID 103237920
2-(5-chloro-2-fluorophenyl)-2-(2-fluoroanilino)acetamide
CID 114843546

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid (CID 61347771) is 2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid is O=C(O)C(Nc1ccccc1F)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid?
The InChIKey is MQNZLSPBXJIVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2S/c13-7-5-10(18-6-7)11(12(16)17)15-9-4-2-1-3-8(9)14/h1-6,11,15H,(H,16,17).
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid?
2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid has a molecular weight of 330.18 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid is sourced from PubChem (CID 61347771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).