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N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

CAS: 339012-06-5

Formula: C17H17ClN2O

SMILES: ClC1=CC(NC(=O)CC2NCCC3=C2C=CC=C3)=CC=C1

IUPAC: N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

InChI: InChI=1/C17H17ClN2O/c18-13-5-3-6-14(10-13)20-17(21)11-16-15-7-2-1-4-12(15)8-9-19-16/h1-7,10,16,19H,8-9,11H2,(H,20,21)

Composition: C (67.88%), H (5.70%), Cl (11.79%), N (9.31%), O (5.32%)

Molar Mass: 300.79

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 300.1029409
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey YTWCWCMSJVIGPX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.15
Topological Polar Surface Area 41.13
Polarizability 32.91
Ring Count 3
Rotatable Bond Count 3

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339012-06-5 $51.35-$86.31$51.35$63.37$86.31
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