Chemical ID: 4174078

COc1ccc(cc1)NC2CC(=O)N(C2=O)c3cccc(c3)Cl
Chemical ID:
4174078
Name [?]:
1-(3-chlorophenyl)-3-(4-methoxyphenyl)amino-pyrrolidine-2,5-dione
SMILES [?]:
COc1ccc(cc1)NC2CC(=O)N(C2=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C17H15ClN2O3/c1-23-14-7-5-12(6-8-14)19-15-10-16(21)20(17(15)22)13-4-2-3-11(18)9-13/h2-9,15,19H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,20,18,5,7,4,8,22,11,21,6,17,3,10,12,15,23,9,14,13,16,2/E:(5,6)(7,8)/rA:23cCOCCCCCCNCCCONCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s12;s10s14;d15;s14;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClN2O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.36002
Area:526.589
Solvation:-4.80472
Coulombic:-43.1616
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:330.765
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.11
LogP (Chemaxon):2.58

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