2-bromo-N-[4-(3-phenylpropoxy)phenyl]acetamide

2-bromo-N-[4-(3-phenylpropoxy)phenyl]acetamide

CAS: 1138442-41-7

Formula: C17H18BrNO2

SMILES: BrCC(=O)NC1=CC=C(OCCCC2=CC=CC=C2)C=C1

IUPAC: 2-bromo-N-[4-(3-phenylpropoxy)phenyl]acetamide

InChI: InChI=1S/C17H18BrNO2/c18-13-17(20)19-15-8-10-16(11-9-15)21-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,19,20)

Composition: C (58.63%), H (5.21%), Br (22.95%), N (4.02%), O (9.19%)

Molar Mass: 348.24

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	347.052092
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AWDPTHOKRYHFRR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.09
Topological Polar Surface Area	38.33
Polarizability	33.55
Ring Count	2
Rotatable Bond Count	7

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