Chemical ID: 6884294

Cc1ccc(c(c1)C)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)C(F)(F)F
Chemical ID:
6884294
Name [?]:
4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylmethoxy]-N-(2,4-dimethylphenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C24H20ClF3N2O3/c1-14-3-10-20(15(2)11-14)30-23(32)16-4-7-18(8-5-16)33-13-22(31)29-21-12-17(24(26,27)28)6-9-19(21)25/h3-12H,13H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,8,3,13,17,26,14,16,27,4,7,24,19,2,6,12,25,15,28,5,23,20,10,30,29,31,32,33,22,9,21,11,18/E:(4,5)(7,8)(26,27,28)/rA:33nCCCCCCCCNCOCCCCCCOCCONCCCCCCClCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s25;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20ClF3N2O3
All Atoms:53
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.6791
Area:696.095
Solvation:-5.72327
Coulombic:-68.8215
Bond Count [?]
All:35
Single:24
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:476.875
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.86
LogP (Chemaxon):4.97

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Descriptor Annotations

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