Chemical ID: 6488163

CC(=O)Nc1cccc2c1C(=O)N(C2=O)c3ccccc3
Chemical ID:
6488163
Name [?]:
N-(1,3-dioxo-2-phenyl-isoindolin-4-yl)acetamide
SMILES [?]:
CC(=O)Nc1cccc2c1C(=O)N(C2=O)c3ccccc3
InChi [?]:
InChI=1/C16H12N2O3/c1-10(19)17-13-9-5-8-12-14(13)16(21)18(15(12)20)11-6-3-2-4-7-11/h2-9H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,7,17,21,8,6,2,16,9,5,10,14,11,4,13,3,15,12/E:(3,4)(6,7)/rA:21nCCONCCCCCCCONCOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s9s13;d14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.56291
Area:449.692
Solvation:-2.6794
Coulombic:-46.4645
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:280.278
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.95
LogP (Chemaxon):1.63

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Descriptor Annotations

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