2-bromo-N-(4-methylphenyl)butanamide

2-bromo-N-(4-methylphenyl)butanamide

CAS: 300707-60-2

Formula: C11H14BrNO

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

IUPAC: 2-bromo-N-(4-methylphenyl)butanamide

InChI: InChI=1/C11H14BrNO/c1-3-10(12)11(14)13-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H,13,14)

Composition: C (51.58%), H (5.51%), Br (31.20%), N (5.47%), O (6.25%)

Molar Mass: 256.143

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	255.025877
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	BAKMANLFAWTIPT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.72
Topological Polar Surface Area	29.1
Polarizability	23.33
Ring Count	1
Rotatable Bond Count	3

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