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117186-74-0 | 2-Pyrrolidinecarboxamide, N-(2-benzoylphenyl)-, (2S)-
CAS No: 117186-74-0 Catalog No: AG000DVI MDL No:MFCD23135554
Product Description
Catalog Number:
AG000DVI
Chemical Name:
2-Pyrrolidinecarboxamide, N-(2-benzoylphenyl)-, (2S)-
CAS Number:
117186-74-0
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
MDL Number:
MFCD23135554
IUPAC Name:
(2S)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide
InChI:
InChI=1S/C18H18N2O2/c21-17(13-7-2-1-3-8-13)14-9-4-5-10-15(14)20-18(22)16-11-6-12-19-16/h1-5,7-10,16,19H,6,11-12H2,(H,20,22)/t16-/m0/s1
InChI Key:
UYECSIRRUVGDMV-INIZCTEOSA-N
SMILES:
O=C([C@@H]1CCCN1)Nc1ccccc1C(=O)c1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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