N-[4-(2-bromoacetamido)phenyl]butanamide

N-[4-(2-bromoacetamido)phenyl]butanamide

CAS: 886009-20-7

Formula: C12H15BrN2O2

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

IUPAC: N-[4-(2-bromoacetamido)phenyl]butanamide

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

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	MLRMVAXZHMACIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.75
Topological Polar Surface Area	58.2
Polarizability	26.52
Ring Count	1
Rotatable Bond Count	5

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