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Chemical ID: 6851882
Chemical ID:
6851882
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-4-[1-[[2-(trifluoromethyl)phenyl]carbamoyl]ethoxy]benzamide
SMILES [?]:
CC(C(=O)Nc1ccccc1C(F)(F)F)Oc2ccc(cc2)C(=O)Nc3ccc(c(c3)Cl)OC
InChi [?]:
InChI=1/C24H20ClF3N2O4/c1-14(22(31)30-20-6-4-3-5-18(20)24(26,27)28)34-17-10-7-15(8-11-17)23(32)29-16-9-12-21(33-2)19(25)13-16/h3-14H,1-2H3,(H,29,32)(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,34,9,8,10,7,19,21,27,18,22,28,31,2,20,26,17,11,30,6,29,3,23,12,32,13,14,15,25,5,4,24,33,16/E:(7,8)(10,11)(26,27,28)/rA:34cCCCONCCCCCCCFFFOCCCCCCCONCCCCCCClOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;s12;s12;s2;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;s26;d27;s28;d29;d26s30;s30;s29;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClF3N2O4 |
All Atoms: | 54 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.798 |
Area: | 700.655 |
Solvation: | -6.71834 |
Coulombic: | -76.7099 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 492.875 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.63 |
LogP (Chemaxon): | 5.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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