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N-(2-Bromo-4-(2-Pyridyl)Phenyl)Acetamide manufacturers and suppliers on PharmaCompass

PharmaCompass
  • Chemistry
N-(2-Bromo-4-(2-Pyridyl)Phenyl)Acetamide
Also known as:
Molecular Formula
C16H23BrClNO2
Molecular Weight
376.7  g/mol
InChI Key
ORIJOOGJWGHXNK-UHFFFAOYSA-N

1 2D Structure

N-(2-Bromo-4-(2-Pyridyl)Phenyl)Acetamide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol;hydrochloride
2.1.2 InChI
InChI=1S/C16H22BrNO2.ClH/c1-5-10-6-12(17)7-11-8-14(20-15(10)11)13(9-19)18-16(2,3)4;/h6-8,13,18-19H,5,9H2,1-4H3;1H
2.1.3 InChI Key
ORIJOOGJWGHXNK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=C2C(=CC(=C1)Br)C=C(O2)C(CO)NC(C)(C)C.Cl
2.1.5 Isomeric SMILES
CCC1=C2C(=CC(=C1)Br)C=C(O2)C(CO)NC(C)(C)C.Cl
2.2 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 376.7 g/mol
Molecular Formula C16H23BrClNO2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass375.06007 g/mol
Monoisotopic Mass375.06007 g/mol
Topological Polar Surface Area45.4 A^2
Heavy Atom Count21
Formal Charge0
Complexity318
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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