Chemical ID: 3941320

c1cc(cc(c1)Cl)NC(=O)N2CCCC2C(=O)NCc3ccc4c(c3)OCO4
Chemical ID:
3941320
Name [?]:
N'-(benzo[1,3]dioxol-5-ylmethyl)-N-(3-chlorophenyl)-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)N2CCCC2C(=O)NCc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C20H20ClN3O4/c21-14-3-1-4-15(10-14)23-20(26)24-8-2-5-16(24)19(25)22-11-13-6-7-17-18(9-13)28-12-27-17/h1,3-4,6-7,9-10,16H,2,5,8,11-12H2,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,13,6,2,14,21,22,12,25,4,19,27,20,5,3,15,23,24,16,9,7,18,8,11,17,10,28,26/rA:28cCCCCCCClNCONCCCCCONCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s11s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClN3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.4819
Area:622.986
Solvation:-5.09272
Coulombic:-67.9784
Bond Count [?]
All:31
Single:23
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:401.843
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.93
LogP (Chemaxon):3.02

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Descriptor Annotations

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