N-[3-[(4-bromoanilino)methyl]-3-chloro-2-oxo-4-(4-phenoxyphenyl)azetidin-1-yl]-2-hydroxybenzamide

CAS: 87444-04-0

Molecular Formula	`C29H23BrClN3O4`
Molecular Weight	592.9 g/mol
LogP	6.8
Topological Polar Surface Area	90.9 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	591.056
Heavy Atoms	38
Complexity	814.0

Chemical Identifiers

CAS Number	87444-04-0
SMILES	`C1=CC=C(C=C1)OC2=CC=C(C=C2)C3C(C(=O)N3NC(=O)C4=CC=CC=C4O)(CNC5=CC=C(C=C5)Br)Cl`
InChIKey	`WMMKBGXWAANGDG-UHFFFAOYSA-N`

📖 Product Overview

N-[3-[(4-bromoanilino)methyl]-3-chloro-2-oxo-4-(4-phenoxyphenyl)azetidin-1-yl]-2-hydroxybenzamide (CAS: 87444-04-0) is a chemical compound with molecular formula C29H23BrClN3O4 and molecular weight 592.9 g/mol. Its IUPAC systematic name is N-[3-[(4-bromoanilino)methyl]-3-chloro-2-oxo-4-(4-phenoxyphenyl)azetidin-1-yl]-2-hydroxybenzamide. LogP 6.8 Topological Polar Surface Area 90.9 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 591.056 Heavy Atoms 38 Complexity 814.0 InChI Key: WMMKBGXWAANGDG-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C3C(C(=O)N3NC(=O)C4=CC=CC=C4O)(CNC5=CC=C(C=C5)Br)Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for N-[3-[(4-bromoanilino)methyl]-3-chloro-2-oxo-4-(4-phenoxyphenyl)azetidin-1-yl]-2-hydroxybenzamide.

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