2-bromo-N-(3,4-dimethylphenyl)butanamide

2-bromo-N-(3,4-dimethylphenyl)butanamide

CAS: 1119451-40-9

Formula: C12H16BrNO

SMILES: CCC(Br)C(=O)NC1=CC(C)=C(C)C=C1

IUPAC: 2-bromo-N-(3,4-dimethylphenyl)butanamide

InChI: InChI=1/C12H16BrNO/c1-4-11(13)12(15)14-10-6-5-8(2)9(3)7-10/h5-7,11H,4H2,1-3H3,(H,14,15)

Composition: C (53.35%), H (5.97%), Br (29.58%), N (5.18%), O (5.92%)

Molar Mass: 270.17

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	269.041527
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	KZHUKGLYVAKURF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.76
Topological Polar Surface Area	29.1
Polarizability	25.08
Ring Count	1
Rotatable Bond Count	3

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