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Chemical ID: 4143557
Chemical ID:
4143557
Name [?]:
2-(1,3-dioxoisoindolin-2-yl)-N-(2-ethylphenyl)-propanamide
SMILES [?]:
CCc1ccccc1NC(=O)C(C)N2C(=O)c3ccccc3C2=O
InChi [?]:
InChI=1/C19H18N2O3/c1-3-13-8-4-7-11-16(13)20-17(22)12(2)21-18(23)14-9-5-6-10-15(14)19(21)24/h4-12H,3H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,13,2,5,19,20,6,4,18,21,7,12,3,17,22,8,10,15,23,9,14,11,16,24/E:(5,6)(9,10)(14,15)(18,19)(23,24)/rA:24cCCCCCCCCNCOCCNCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.63194 |
Area: | 519.382 |
Solvation: | -3.35261 |
Coulombic: | -48.3377 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.09 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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