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Chemical ID: 6211320
Chemical ID:
6211320
Name [?]:
2-(1,3-dioxoisoindolin-2-yl)-N-phenyl-propanamide
SMILES [?]:
CC(C(=O)Nc1ccccc1)N2C(=O)c3ccccc3C2=O
InChi [?]:
InChI=1/C17H14N2O3/c1-11(15(20)18-12-7-3-2-4-8-12)19-16(21)13-9-5-6-10-14(13)17(19)22/h2-11H,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,17,18,7,11,16,19,2,6,15,20,3,13,21,5,12,4,14,22/E:(3,4)(5,6)(7,8)(9,10)(13,14)(16,17)(21,22)/rA:22cCCCONCCCCCCNCOCCCCCCCO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2;s12;d13;s13;s15;d16;s17;d18;d15s19;s12s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.50381 |
Area: | 478.994 |
Solvation: | -3.47103 |
Coulombic: | -47.9431 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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