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Chemical ID: 5874337
Chemical ID:
5874337
Name [?]:
4-chloro-N-[2-[(4-chlorophenyl)carbamoyl-[3-(trifluoromethyl)phenyl]-amino]ethyl]benzamide
SMILES [?]:
c1cc(cc(c1)N(CCNC(=O)c2ccc(cc2)Cl)C(=O)Nc3ccc(cc3)Cl)C(F)(F)F
InChi [?]:
InChI=1/C23H18Cl2F3N3O2/c24-17-6-4-15(5-7-17)21(32)29-12-13-31(20-3-1-2-16(14-20)23(26,27)28)22(33)30-19-10-8-18(25)9-11-19/h1-11,14H,12-13H2,(H,29,32)(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,18,15,17,25,27,24,28,9,8,4,13,3,16,26,23,5,11,20,30,19,29,31,32,33,10,22,7,12,21/E:(4,5)(6,7)(8,9)(10,11)(26,27,28)/rA:33nCCCCCCNCCNCOCCCCCCClCONCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s7;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s3;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18Cl2F3N3O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.1411 |
Area: | 725.129 |
Solvation: | -3.98717 |
Coulombic: | -72.9379 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 496.309 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.01 |
LogP (Chemaxon): | 5.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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