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Chemical ID: 6787535
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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