2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid

C15H13BrFNO3 — CID 60993052

IUPAC2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid
SMILESCOc1ccc(Br)cc1C(Nc1ccccc1F)C(=O)O
InChIInChI=1S/C15H13BrFNO3/c1-21-13-7-6-9(16)8-10(13)14(15(19)20)18-12-5-3-2-4-11(12)17/h2-8,14,18H,1H3,(H,19,20)
InChIKeyKIUAMXKMGPRMLG-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.83
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid

2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid (PubChem CID 60993052) has the molecular formula C15H13BrFNO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid
PubChem CID60993052
Molecular FormulaC15H13BrFNO3
Molecular Weight354.18 g/mol
Exact Mass353.01
IUPAC Name2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid
SMILESCOc1ccc(Br)cc1C(Nc1ccccc1F)C(=O)O
InChIInChI=1S/C15H13BrFNO3/c1-21-13-7-6-9(16)8-10(13)14(15(19)20)18-12-5-3-2-4-11(12)17/h2-8,14,18H,1H3,(H,19,20)
InChIKeyKIUAMXKMGPRMLG-UHFFFAOYSA-N
XLogP3.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62132447
2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid
CID 54890559
2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid
CID 43753884
2-(2,6-difluorophenyl)-2-(2-methoxyanilino)acetic acid
CID 60994711
2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid
CID 61347771
2-(4-fluoro-2-methylphenyl)-2-(2-methoxyanilino)acetic acid
CID 62134648
2-(2-bromoanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131190
4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene
CID 55198482
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461531
2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54890074
2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103663924

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid (CID 60993052) is 2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid is COc1ccc(Br)cc1C(Nc1ccccc1F)C(=O)O.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid?
The InChIKey is KIUAMXKMGPRMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3/c1-21-13-7-6-9(16)8-10(13)14(15(19)20)18-12-5-3-2-4-11(12)17/h2-8,14,18H,1H3,(H,19,20).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid?
2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid has a molecular weight of 354.18 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid is sourced from PubChem (CID 60993052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).