2-bromo-N-[(2,4-dimethoxyphenyl)methyl]butanamide

2-bromo-N-[(2,4-dimethoxyphenyl)methyl]butanamide

CAS: 1119453-09-6

Formula: C13H18BrNO3

SMILES: CCC(Br)C(=O)NCC1=C(OC)C=C(OC)C=C1

IUPAC: 2-bromo-N-[(2,4-dimethoxyphenyl)methyl]butanamide

InChI: InChI=1/C13H18BrNO3/c1-4-11(14)13(16)15-8-9-5-6-10(17-2)7-12(9)18-3/h5-7,11H,4,8H2,1-3H3,(H,15,16)

Composition: C (49.38%), H (5.74%), Br (25.27%), N (4.43%), O (15.18%)

Molar Mass: 316.195

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	315.047006
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CTOZZZIPGGFSTI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.66
Topological Polar Surface Area	47.56
Polarizability	28.52
Ring Count	1
Rotatable Bond Count	6

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