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Chemical ID: 4174078
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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