2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid

C14H11BrFNO2 — CID 54890559

IUPAC2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrFNO2/c15-10-7-5-9(6-8-10)13(14(18)19)17-12-4-2-1-3-11(12)16/h1-8,13,17H,(H,18,19)
InChIKeyOGIWVXWNFHQKNC-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.83
Rot. Bonds4

About 2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid

2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid (PubChem CID 54890559) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid
PubChem CID54890559
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1ccccc1F)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrFNO2/c15-10-7-5-9(6-8-10)13(14(18)19)17-12-4-2-1-3-11(12)16/h1-8,13,17H,(H,18,19)
InChIKeyOGIWVXWNFHQKNC-UHFFFAOYSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
2-(2-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetic acid
CID 107690254
2-(4-bromothiophen-2-yl)-2-(2-fluoroanilino)acetic acid
CID 61347771
2-[3-(difluoromethyl)phenyl]-2-(2-fluoroanilino)acetic acid
CID 115527074
2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid
CID 60993052
2-(4-bromophenyl)-2-(2-fluoroanilino)-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 46179355
2-(2,5-difluoroanilino)-2-phenylacetic acid
CID 58556979
2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid
CID 103237920
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
2-(2-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62132447
2-phenyl-2-(2,4,5-trifluoroanilino)acetic acid
CID 103249563
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
CID 54890320

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid?
The IUPAC name of 2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid (CID 54890559) is 2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid?
The canonical SMILES for 2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid is O=C(O)C(Nc1ccccc1F)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid?
The InChIKey is OGIWVXWNFHQKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-10-7-5-9(6-8-10)13(14(18)19)17-12-4-2-1-3-11(12)16/h1-8,13,17H,(H,18,19).
What are the key properties of 2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid?
2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid has a molecular weight of 324.15 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(2-fluoroanilino)acetic acid is sourced from PubChem (CID 54890559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).