Chemical ID: 3941156

CC(=O)Nc1cccc(c1)NC(=O)C2CCCN2C(=O)Nc3ccc(cc3)Cl
Chemical ID:
3941156
Name [?]:
N'-(3-acetamidophenyl)-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
CC(=O)Nc1cccc(c1)NC(=O)C2CCCN2C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H21ClN4O3/c1-13(26)22-16-4-2-5-17(12-16)23-19(27)18-6-3-11-25(18)20(28)24-15-9-7-14(21)8-10-15/h2,4-5,7-10,12,18H,3,6,11H2,1H3,(H,22,26)(H,23,27)(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,7,16,6,8,15,24,26,23,27,17,10,2,25,22,5,9,14,12,19,28,4,11,21,18,3,13,20/E:(7,8)(9,10)/rA:28cCCONCCCCCCNCOCCCCNCONCCCCCCCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s14;s15;s16;s14s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21ClN4O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.8723
Area:625.163
Solvation:-4.75678
Coulombic:-69.6385
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:400.859
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:2.28
LogP (Chemaxon):3.04

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Descriptor Annotations

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