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N-[2-(azepane-1-carbonyl)-4-chlorophenyl]-2,4-dichlorobenzamide

N-[2-(azepane-1-carbonyl)-4-chlorophenyl]-2,4-dichlorobenzamide

Formula: C20H19Cl3N2O2

SMILES: ClC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C(=O)N2CCCCCC2)C(Cl)=C1

IUPAC: N-[2-(azepane-1-carbonyl)-4-chlorophenyl]-2,4-dichlorobenzamide

InChI: InChI=1S/C20H19Cl3N2O2/c21-13-6-8-18(24-19(26)15-7-5-14(22)12-17(15)23)16(11-13)20(27)25-9-3-1-2-4-10-25/h5-8,11-12H,1-4,9-10H2,(H,24,26)

Composition: C (56.42%), H (4.50%), Cl (24.98%), N (6.58%), O (7.52%)

Molar Mass: 425.73

Atom Count: 46

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 424.051211
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DFCSGTWEIARLQY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 111.62
Topological Polar Surface Area 49.41
Polarizability 41.78
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H19Cl3N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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