Chemical ID: 6877882

Cc1cc(ccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3C(F)(F)F)Cl
Chemical ID:
6877882
Name [?]:
N-(4-chloro-2-methyl-phenyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylmethoxy]benzamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3ccccc3C(F)(F)F)Cl
InChi [?]:
InChI=1/C23H18ClF3N2O3/c1-14-12-16(24)8-11-19(14)29-22(31)15-6-9-17(10-7-15)32-13-21(30)28-20-5-3-2-4-18(20)23(25,26)27/h2-12H,13H2,1H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,12,16,5,13,15,6,3,18,2,11,4,14,27,7,22,19,9,28,32,29,30,31,21,8,20,10,17/E:(6,7)(9,10)(25,26,27)/rA:32nCCCCCCCNCOCCCCCCOCCONCCCCCCCFFFCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s28;s28;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18ClF3N2O3
All Atoms:50
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.4045
Area:671.278
Solvation:-5.37741
Coulombic:-69.4447
Bond Count [?]
All:34
Single:23
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:462.849
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.42
LogP (Chemaxon):5.15

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Descriptor Annotations

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