2-bromo-N-methyl-N-(3-methylphenyl)propanamide

2-bromo-N-methyl-N-(3-methylphenyl)propanamide

CAS: 1119450-38-2

Formula: C11H14BrNO

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

IUPAC: 2-bromo-N-methyl-N-(3-methylphenyl)propanamide

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

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	0
InChIKey	NGABQZXZEHHUCC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.31
Topological Polar Surface Area	20.31
Polarizability	23.33
Ring Count	1
Rotatable Bond Count	2

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