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Chemical ID: 3941140
Chemical ID:
3941140
Name [?]:
N'-[(2-fluorophenyl)methyl]-N-(4-methoxyphenyl)-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
COc1ccc(cc1)NC(=O)N2CCCC2C(=O)NCc3ccccc3F
InChi [?]:
InChI=1/C20H22FN3O3/c1-27-16-10-8-15(9-11-16)23-20(26)24-12-4-7-18(24)19(25)22-13-14-5-2-3-6-17(14)21/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,23,24,14,22,25,15,5,7,4,8,13,20,21,6,3,26,16,17,10,27,19,9,12,18,11,2/E:(8,9)(10,11)/rA:27cCOCCCCCCNCONCCCCCONCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22FN3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.89832 |
Area: | 589.338 |
Solvation: | -5.83512 |
Coulombic: | -62.2671 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 371.406 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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