Home Aminos Benzamide, N-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-3-(trifluoromethyl)-

Benzamide, N-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-3-(trifluoromethyl)-

CAS No.:
226228-42-8
Catalog Number:
AG00BF5Q
Molecular Formula:
C21H22F3N3O2
Molecular Weight:
405.4135
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Product Description
Catalog Number:
AG00BF5Q
Chemical Name:
Benzamide, N-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-3-(trifluoromethyl)-
CAS Number:
226228-42-8
Molecular Formula:
C21H22F3N3O2
Molecular Weight:
405.4135
MDL Number:
MFCD29472324
IUPAC Name:
N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
InChI:
InChI=1S/C21H22F3N3O2/c22-21(23,24)17-8-4-7-16(11-17)20(29)25-12-19(28)26-18-9-10-27(14-18)13-15-5-2-1-3-6-15/h1-8,11,18H,9-10,12-14H2,(H,25,29)(H,26,28)/t18-/m0/s1
InChI Key:
FAAVOKBSFIJHRY-SFHVURJKSA-N
SMILES:
O=C(N[C@H]1CCN(C1)Cc1ccccc1)CNC(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
564  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
405.166g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
405.421g/mol
Monoisotopic Mass:
405.166g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties