3-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide

3-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide

CAS: 647031-74-1

Formula: C16H13BrClNO

SMILES: ClC1=CC=C(CNC(=O)C=CC2=CC=CC(Br)=C2)C=C1

IUPAC: 3-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide

InChI: InChI=1S/C16H13BrClNO/c17-14-3-1-2-12(10-14)6-9-16(20)19-11-13-4-7-15(18)8-5-13/h1-10H,11H2,(H,19,20)

Composition: C (54.81%), H (3.74%), Br (22.79%), Cl (10.11%), N (3.99%), O (4.56%)

Molar Mass: 350.64

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	348.986905
Formal Charge	0
FSP3	0.06
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	GFTDWTINVVUISO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.82
Topological Polar Surface Area	29.1
Polarizability	32.84
Ring Count	2
Rotatable Bond Count	4

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