2-Benzamido-2-[4-(chloromethyl)phenyl]acetic acid

HCID 333384

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Basic information

CAS: 66320-53-4
Standard SMILES: O=C(NC(C(=O)O)c1ccc(CCl)cc1)c1ccccc1
InChIKey: ANAVHKHLAXIOKL-UHFFFAOYSA-N
Molecular formula: C16H14ClNO3
Average molar mass: 303.74 g/mol
Monoisotopic mass: 303.066221

Names & identifiers

Preferred name: 2-Benzamido-2-[4-(chloromethyl)phenyl]acetic acid
IUPAC: 2-benzamido-2-[4-(chloromethyl)phenyl]acetic acid

Names & synonyms

66320-53-42-benzamido-2-[4-(chloromethyl)phenyl]acetic acidNSC334068DTXSID20318699NSC-334068DS-010072Benzamido[4-(chloromethyl)phenyl]acetic acidBENZENEACETIC ACID, A-(BENZOYLAMINO)-4-(CHLOROMETHYL)-

Database identifiers

CAS: 66320-53-4
PubChem CID: 333384
DTXSID: DTXSID20318699

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 361

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