Home Aminos Benzamide, N-[2-[(3S)-3-amino-1-pyrrolidinyl]-2-oxoethyl]-3-(trifluoromethyl)-, hydrochloride (1

Benzamide, N-[2-[(3S)-3-amino-1-pyrrolidinyl]-2-oxoethyl]-3-(trifluoromethyl)-, hydrochloride (1

CAS No.:
857651-01-5
Catalog Number:
AG00G3QT
Molecular Formula:
C14H17ClF3N3O2
Molecular Weight:
351.7519
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Product Description
Catalog Number:
AG00G3QT
Chemical Name:
Benzamide, N-[2-[(3S)-3-amino-1-pyrrolidinyl]-2-oxoethyl]-3-(trifluoromethyl)-, hydrochloride (1
CAS Number:
857651-01-5
Molecular Formula:
C14H17ClF3N3O2
Molecular Weight:
351.7519
MDL Number:
MFCD28902271
IUPAC Name:
N-[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
InChI:
InChI=1S/C14H16F3N3O2.ClH/c15-14(16,17)10-3-1-2-9(6-10)13(22)19-7-12(21)20-5-4-11(18)8-20;/h1-3,6,11H,4-5,7-8,18H2,(H,19,22);1H
InChI Key:
FPNGMQVUFFNLFP-UHFFFAOYSA-N
SMILES:
N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F.Cl
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.096g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
351.754g/mol
Monoisotopic Mass:
351.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties