Chemical ID: 4331950

CCCOc1ccc(cc1)N2C(=O)CC(C2=O)Nc3ccc(cc3)Cl
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

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Descriptor Annotations

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