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828930-32-1

828930-32-1 | Benzenepropanamide, N-[1-[(3,4-dichlorophenyl)methyl]-3-pyrrolidinyl]-

CAS No: 828930-32-1 Catalog No: AG004VTI MDL No:

Product Description

Catalog Number:
AG004VTI
Chemical Name:
Benzenepropanamide, N-[1-[(3,4-dichlorophenyl)methyl]-3-pyrrolidinyl]-
CAS Number:
828930-32-1
Molecular Formula:
C20H22Cl2N2O
Molecular Weight:
377.3075
IUPAC Name:
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-3-phenylpropanamide
InChI:
InChI=1S/C20H22Cl2N2O/c21-18-8-6-16(12-19(18)22)13-24-11-10-17(14-24)23-20(25)9-7-15-4-2-1-3-5-15/h1-6,8,12,17H,7,9-11,13-14H2,(H,23,25)
InChI Key:
OFIKKUMQKPOBHQ-UHFFFAOYSA-N
SMILES:
O=C(NC1CCN(C1)Cc1ccc(c(c1)Cl)Cl)CCc1ccccc1

Properties

Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.111g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
377.309g/mol
Monoisotopic Mass:
376.111g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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