Chemical ID: 5517344

c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)Nc3cccc(c3)C(=O)Nc4cccc(c4)C(F)(F)F
Chemical ID:
5517344
Name [?]:
3-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)Nc3cccc(c3)C(=O)Nc4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C25H18F3N3O4/c26-25(27,28)16-6-4-8-18(14-16)30-22(33)15-5-3-7-17(13-15)29-21(32)11-12-31-23(34)19-9-1-2-10-20(19)24(31)35/h1-10,13-14H,11-12H2,(H,29,32)(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,2,19,28,20,29,18,27,6,3,13,12,22,31,21,30,17,26,5,4,14,23,7,10,32,33,34,35,16,25,9,15,24,8,11/E:(1,2)(9,10)(19,20)(23,24)(26,27,28)(34,35)/rA:35nCCCCCCCONCOCCCONCCCCCCCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;s9;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s25;s26;d27;s28;d29;d26s30;s30;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18F3N3O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.0211
Area:696.444
Solvation:-5.38999
Coulombic:-86.5034
Bond Count [?]
All:38
Single:25
Double:13
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:481.423
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.93
LogP (Chemaxon):3.83

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Descriptor Annotations

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