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Chemical ID: 4150304
Chemical ID:
4150304
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,3-dioxoisoindolin-2-yl)-propanamide
SMILES [?]:
c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C18H12ClF3N2O3/c19-14-6-5-10(9-13(14)18(20,21)22)23-15(25)7-8-24-16(26)11-3-1-2-4-12(11)17(24)27/h1-6,9H,7-8H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,19,13,12,22,17,5,4,21,20,14,7,10,23,27,24,25,26,16,9,15,8,11/E:(1,2)(3,4)(11,12)(16,17)(20,21,22)(26,27)/rA:27nCCCCCCCONCOCCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;s9;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12ClF3N2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1406 |
Area: | 568.616 |
Solvation: | -4.07481 |
Coulombic: | -64.6256 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 396.747 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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