N-[5-(2-bromoacetamido)-2-methylphenyl]propanamide

N-[5-(2-bromoacetamido)-2-methylphenyl]propanamide

CAS: 1138443-75-0

Formula: C12H15BrN2O2

SMILES: CCC(=O)NC1=C(C)C=CC(NC(=O)CBr)=C1

IUPAC: N-[5-(2-bromoacetamido)-2-methylphenyl]propanamide

InChI: InChI=1S/C12H15BrN2O2/c1-3-11(16)15-10-6-9(5-4-8(10)2)14-12(17)7-13/h4-6H,3,7H2,1-2H3,(H,14,17)(H,15,16)

Composition: C (48.18%), H (5.05%), Br (26.71%), N (9.36%), O (10.70%)

Molar Mass: 299.168

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	298.031691
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	VBTMXRKIQHZDKE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.19
Topological Polar Surface Area	58.2
Polarizability	26.45
Ring Count	1
Rotatable Bond Count	4

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