Chemical ID: 5892416

c1cc(cc(c1)Cl)C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N4CCCC4
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

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Descriptor Annotations

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