Chemical ID: 6211320

CC(C(=O)Nc1ccccc1)N2C(=O)c3ccccc3C2=O
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

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