2-bromo-N-(4-phenylbutan-2-yl)butanamide

2-bromo-N-(4-phenylbutan-2-yl)butanamide

CAS: 1119452-41-3

Formula: C14H20BrNO

SMILES: CCC(Br)C(=O)NC(C)CCC1=CC=CC=C1

IUPAC: 2-bromo-N-(4-phenylbutan-2-yl)butanamide

InChI: InChI=1/C14H20BrNO/c1-3-13(15)14(17)16-11(2)9-10-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3,(H,16,17)

Composition: C (56.39%), H (6.76%), Br (26.79%), N (4.70%), O (5.36%)

Molar Mass: 298.224

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	297.072827
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	UYQUUPBNGHHXGK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.5
Topological Polar Surface Area	29.1
Polarizability	28.89
Ring Count	1
Rotatable Bond Count	6

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