2-bromo-N-ethyl-N-(3-methylphenyl)butanamide

2-bromo-N-ethyl-N-(3-methylphenyl)butanamide

CAS: 1119450-24-6

Formula: C13H18BrNO

SMILES: CCC(Br)C(=O)N(CC)C1=CC(C)=CC=C1

IUPAC: 2-bromo-N-ethyl-N-(3-methylphenyl)butanamide

InChI: InChI=1/C13H18BrNO/c1-4-12(14)13(16)15(5-2)11-8-6-7-10(3)9-11/h6-9,12H,4-5H2,1-3H3

Composition: C (54.94%), H (6.38%), Br (28.12%), N (4.93%), O (5.63%)

Molar Mass: 284.197

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	283.057177
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GGMWSELHDMGTAY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.58
Topological Polar Surface Area	20.31
Polarizability	26.98
Ring Count	1
Rotatable Bond Count	4

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