2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid

C14H11BrFNO2 — CID 54890074

IUPAC2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid
SMILESO=C(O)C(Nc1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C14H11BrFNO2/c15-9-6-7-11(12(16)8-9)13(14(18)19)17-10-4-2-1-3-5-10/h1-8,13,17H,(H,18,19)
InChIKeyUCXVZGCQTMBOMC-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.83
Rot. Bonds4

About 2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid

2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid (PubChem CID 54890074) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid
PubChem CID54890074
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid
SMILESO=C(O)C(Nc1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C14H11BrFNO2/c15-9-6-7-11(12(16)8-9)13(14(18)19)17-10-4-2-1-3-5-10/h1-8,13,17H,(H,18,19)
InChIKeyUCXVZGCQTMBOMC-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

Analyze 2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromoanilino)-2-(4-bromo-2-fluorophenyl)acetamide
CID 61005304
2-acetamido-2-(4-bromo-2-fluorophenyl)acetic acid
CID 63701357
2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992205
2-(4-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54889513
2-anilino-2-(2,4-difluorophenyl)acetamide
CID 54889357
2-(3-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54890173
2-(4-chloroanilino)-2-(2,4-difluorophenyl)acetic acid
CID 60993908
2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008
2-anilino-2-(3,4,5-trifluorophenyl)acetic acid
CID 63076629
2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid
CID 54890917
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
2-anilino-2-(5-fluoro-2-methylphenyl)acetic acid
CID 114075665

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid?
The IUPAC name of 2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid (CID 54890074) is 2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid?
The canonical SMILES for 2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid is O=C(O)C(Nc1ccccc1)c1ccc(Br)cc1F.
What is the InChIKey of 2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid?
The InChIKey is UCXVZGCQTMBOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-9-6-7-11(12(16)8-9)13(14(18)19)17-10-4-2-1-3-5-10/h1-8,13,17H,(H,18,19).
What are the key properties of 2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid?
2-anilino-2-(4-bromo-2-fluorophenyl)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-anilino-2-(4-bromo-2-fluorophenyl)acetic acid is sourced from PubChem (CID 54890074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).