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Chemical ID: 6214904
Chemical ID:
6214904
Name [?]:
N-(3,4-dimethylphenyl)-2-(2,3-dioxoindolin-1-yl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CN2c3ccccc3C(=O)C2=O
InChi [?]:
InChI=1/C18H16N2O3/c1-11-7-8-13(9-12(11)2)19-16(21)10-20-15-6-4-3-5-14(15)17(22)18(20)23/h3-9H,10H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,8,17,16,18,15,3,4,6,12,2,7,5,19,14,10,20,22,9,13,11,21,23/rA:23nCCCCCCCCNCOCNCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s13s20;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83353 |
Area: | 511.234 |
Solvation: | -3.94733 |
Coulombic: | -47.5655 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 308.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.34 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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