Chemical ID: 4162885

Cc1ccc(c(c1)C)NC(=O)c2ccc(c(c2)N3C(=O)c4ccccc4C3=O)C
Chemical ID:
4162885
Name [?]:
N-(2,4-dimethylphenyl)-3-(1,3-dioxoisoindolin-2-yl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)c2ccc(c(c2)N3C(=O)c4ccccc4C3=O)C
InChi [?]:
InChI=1/C24H20N2O3/c1-14-8-11-20(16(3)12-14)25-22(27)17-10-9-15(2)21(13-17)26-23(28)18-6-4-5-7-19(18)24(26)29/h4-13H,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,29,8,23,24,22,25,3,14,13,4,7,17,2,15,6,12,21,26,5,16,10,19,27,9,18,11,20,28/E:(4,5)(6,7)(18,19)(23,24)(28,29)/rA:29nCCCCCCCCNCOCCCCCCNCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s18s26;d27;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7823
Area:609.136
Solvation:-3.44614
Coulombic:-48.7929
Bond Count [?]
All:32
Single:20
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:384.427
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.56
LogP (Chemaxon):4.12

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Descriptor Annotations

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