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N-(2H-1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide

N-(2H-1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide

CAS: 349438-38-6

Formula: C15H11Cl2NO3

SMILES: ClC1=CC=CC(Cl)=C1C(=O)NCC1=CC=C2OCOC2=C1

IUPAC: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,6-dichlorobenzamide

InChI: InChI=1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-7-9-4-5-12-13(6-9)21-8-20-12/h1-6H,7-8H2,(H,18,19)

Composition: C (55.58%), H (3.42%), Cl (21.87%), N (4.32%), O (14.81%)

Molar Mass: 324.16

Atom Count: 32

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 323.0115986
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NMKJFZCBCIUYHI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.02
Topological Polar Surface Area 47.56
Polarizability 30.91
Ring Count 3
Rotatable Bond Count 3

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