2-bromo-N-ethyl-N-phenylbutanamide

2-bromo-N-ethyl-N-phenylbutanamide

CAS: 1119450-25-7

Formula: C12H16BrNO

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

IUPAC: 2-bromo-N-ethyl-N-phenylbutanamide

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

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	0
InChIKey	DZUHMVCIFVWFLH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.54
Topological Polar Surface Area	20.31
Polarizability	25.22
Ring Count	1
Rotatable Bond Count	4

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