2-anilinophenylacetic acid

Synonyms: "2-Anilinophenylacetic acid", "2-(2-(phenylamino)phenyl)acetic acid", "2-(2-anilinophenyl)acetic Acid", "2-anilino phenylacetic acid", "2-Anilino-phenylacetic acid", "2-Phenylaminophenylacetic acid", "2-Phenylaminobenzeneacetic acid", "2-[(phenyl)amino]phenylacetic acid", "(2-Phenylamino-phenyl)-acetic acid"

Source: 2-anilinophenylacetic acid is a structural analog of diclofenac.

Identifiers:

IUPAC Name: 2-(2-anilinophenyl)acetic acid
CAS Number: 70172-33-7
PubChem ID: 854057
InChiKey: NJFCAWNKWPIBAG-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2CC(=O)O

Structural Properties:

Molecular Formula: C₁₄H₁₃NO₂
Molecular Weight: 227.26

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 17

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Evidence Supporting This Chemical as an Emerging Contaminant

Cesen, M., Heath, D., Krivec, M., Kosmrlj, J., Kosjek, T., & Heath, E. (2018). Seasonal and spatial variations in the occurrence, mass loadings and removal of compounds of emerging concern in the Slovene aqueous environment and environmental risk assessment. Environmental pollution, 242, 143-154.

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