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Chemical ID: 5892416
Chemical ID:
5892416
Name [?]:
3-chloro-N-(4-pyrrolidin-1-yl-3-pyrrolidin-1-ylcarbonyl-phenyl)-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCCC4
InChi [?]:
InChI=1/C22H24ClN3O2/c23-17-7-5-6-16(14-17)21(27)24-18-8-9-20(25-10-1-2-11-25)19(15-18)22(28)26-12-3-4-13-26/h5-9,14-15H,1-4,10-13H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:26,27,21,22,1,2,6,12,13,25,28,20,23,4,16,3,5,11,15,14,8,17,7,10,24,19,9,18/E:(1,2)(3,4)(10,11)(12,13)/rA:28nCCCCCCClCONCCCCCCCONCCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s19s22;s14;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24ClN3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5741 |
Area: | 615.554 |
Solvation: | -3.81475 |
Coulombic: | -44.8831 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 397.898 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.38 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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