Chemical ID: 6787535

COc1ccccc1CN2CC(CC2=O)C(=O)NCCc3ccc(cc3)Cl
Chemical ID:
6787535
Name [?]:
N-[2-(4-chlorophenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
SMILES [?]:
COc1ccccc1CN2CC(CC2=O)C(=O)NCCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H23ClN2O3/c1-27-19-5-3-2-4-16(19)13-24-14-17(12-20(24)25)21(26)23-11-10-15-6-8-18(22)9-7-15/h2-9,17H,10-14H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,22,26,23,25,20,19,13,9,11,21,8,12,24,3,14,16,27,18,10,15,17,2/E:(6,7)(8,9)/rA:27cCOCCCCCCCNCCCCOCONCCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s10s13;d14;s12;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23ClN2O3
All Atoms:50
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.0483
Area:621.958
Solvation:-4.50064
Coulombic:-44.9359
Bond Count [?]
All:29
Single:21
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.872
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.79
LogP (Chemaxon):2.53

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