Chemical ID: 5458662

COc1ccc(cc1)N2C(=O)CC(C2=O)Nc3ccc(c(c3)Cl)Cl
Chemical ID:
5458662
Name [?]:
3-(3,4-dichlorophenyl)amino-1-(4-methoxyphenyl)-pyrrolidine-2,5-dione
SMILES [?]:
COc1ccc(cc1)N2C(=O)CC(C2=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C17H14Cl2N2O3/c1-24-12-5-3-11(4-6-12)21-16(22)9-15(17(21)23)20-10-2-7-13(18)14(19)8-10/h2-8,15,20H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,5,7,4,8,19,22,12,17,6,3,20,21,13,10,14,24,23,16,9,11,15,2/E:(3,4)(5,6)/rA:24cCOCCCCCCNCOCCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s9s13;d14;s13;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14Cl2N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.98582
Area:554.309
Solvation:-4.87189
Coulombic:-43.1347
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:365.21
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.73
LogP (Chemaxon):3.09

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue