AG00IJSO

96293-17-3 | (S)-(-)-2-(N-Benzylprolyl)aminobenzophenone

AG00IJSO

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CAS Number	96293-17-3
Catalog Number	AG00IJSO(AGN-PC-0OOCGO)
Chemical Name	(S)-(-)-2-(N-Benzylprolyl)aminobenzophenone
IUPAC Name	(2S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide
InChI	InChI=1S/C25H24N2O2/c28-24(20-12-5-2-6-13-20)21-14-7-8-15-22(21)26-25(29)23-16-9-17-27(23)18-19-10-3-1-4-11-19/h1-8,10-15,23H,9,16-18H2,(H,26,29)/t23-/m0/s1
InChI Key	IPSABLMEYFYEHS-QHCPKHFHSA-N
MDL Number	MFCD00145260
Molecular Formula	C25H24N2O2
Molecular Weight	384.4703
SMILES	O=C(NC1=CC=CC=C1C(C2=CC=CC=C2)=O)[C@H]3N(CC4=CC=CC=C4)CCC3
Synonyms	(S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide, NBPBPC cpd, 96293-17-3, (s)-n-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide, (S)-(-)-2-(N-Benzylprolyl)aminobenzophenone, (S)-2-[N'-(N-Benzylprolyl)amino]benzophenone, (S)-N-(2-BENZOYLPHENYL)-1-BENZYL-PROLINAMIDE, N-(2-Benzoylphenyl)-1-benzyl-L-prolinamide, [(2S)-1-benzylpyrrolidin-2-yl]-N-[2-(phenylcarbonyl)phenyl]carboxamide, AK327439, ZERO/001527, AC1LJVXW, SCHEMBL601411, KS-00000LNR, DTXSID90359670, IPSABLMEYFYEHS-QHCPKHFHSA-N, ZINC4262084, FD1115, MFCD00145260, SBB001753, 2-Pyrrolidinecarboxamide, N-(2-benzoylphenyl)-1-(phenylmethyl)-, (2S)-, AKOS001756321, LS30185, MCULE-3437839167, MCULE-8970511874, 2-(1-Benzyl-L-prolylamino)benzophenone, (S)-2-(N-Benzylprolyl)aMinobenzophenone, AS-10082, SC-83415, ST045164, (s)-n-benzylproline (2-benzoylphenyl)amide, AB1004320, FT-0687332, (2S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide, (2S)-N-(2-BENZOYLPHENYL)-1-(PHENYLMETHYL)-2-PYRROLIDINECARBOXAMIDE, (2S)-N~2~-(2-benzoylphenyl)-1-benzyltetrahydro-1H-pyrrole-2-carboxamide, (S)-2-(N-Benzylprolyl)aminobenzophenone; (S)-N-(2-Benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide, -2-[N'- AMINO]BENZOPHENONE, CID980835, CB11969, (S)-2-N'-(N-Benzylprolyl)aminoenzophenone, B5519,

Complexity	551
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	384.184g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	384.479g/mol
Monoisotopic Mass	384.184g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	49.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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