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Chemical ID: 4331950
Chemical ID:
4331950
Name [?]:
3-(4-chlorophenyl)amino-1-(4-propoxyphenyl)-pyrrolidine-2,5-dione
SMILES [?]:
CCCOc1ccc(cc1)N2C(=O)CC(C2=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H19ClN2O3/c1-2-11-25-16-9-7-15(8-10-16)22-18(23)12-17(19(22)24)21-14-5-3-13(20)4-6-14/h3-10,17,21H,2,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,23,20,24,7,9,6,10,3,14,22,19,8,5,15,12,16,25,18,11,13,17,4/E:(3,4)(5,6)(7,8)(9,10)/rA:25cCCCOCCCCCCNCOCCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s11s15;d16;s15;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19ClN2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.82904 |
Area: | 580.582 |
Solvation: | -4.6855 |
Coulombic: | -43.8652 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.819 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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