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Labetalol Impurity 47

CAT: 1299-RM-L010247-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L010247-01Size:10 mg
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CAS Number
75637-30-8
Synonyms
5-acetyl-2- (benzyloxy) benzamide
Molecular Formula
C16H15NO3
Molecular Weight
269.3
Target Alternative Name
Labetalol
Product Name Synonym
5-acetyl-2- (benzyloxy) benzamide

Chemical Information

5-Acetyl-2-(phenylmethoxy)benzamide
CAS Number75637-30-8
PubChem CID3018609
IUPAC Name5-acetyl-2-phenylmethoxybenzamide
Molecular FormulaC16H15NO3
Molecular Weight269.29
XLogP1.9
Topological Polar Surface Area69.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity350
SMILES
CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C16H15NO3/c1-11(18)13-7-8-15(14(9-13)16(17)19)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,19)
InChIKey
NTDLDXWJXHCHAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Acetyl-2-(phenylmethoxy)benzamide
CAS: 75637-30-8
CID: 3018609
Formula: C16H15NO3
MW: 269.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.29
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass269.10519334
Monoisotopic Mass269.10519334
Topological Polar Surface Area69.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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