4-(2-bromoacetamido)-N-butylbenzamide

4-(2-bromoacetamido)-N-butylbenzamide

CAS: 1138442-71-3

Formula: C13H17BrN2O2

SMILES: CCCCNC(=O)C1=CC=C(NC(=O)CBr)C=C1

IUPAC: 4-(2-bromoacetamido)-N-butylbenzamide

InChI: InChI=1S/C13H17BrN2O2/c1-2-3-8-15-13(18)10-4-6-11(7-5-10)16-12(17)9-14/h4-7H,2-3,8-9H2,1H3,(H,15,18)(H,16,17)

Composition: C (49.85%), H (5.47%), Br (25.51%), N (8.94%), O (10.22%)

Molar Mass: 313.195

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	312.047341
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	UEKNAYKRFSATRC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.51
Topological Polar Surface Area	58.2
Polarizability	28.15
Ring Count	1
Rotatable Bond Count	6

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