Chemical ID: 7366540

c1ccc(c(c1)C(=O)Nc2ccc(cc2)OCC(=O)Nc3cccc(c3)C(F)(F)F)Cl
Chemical ID:
7366540
Name [?]:
2-chloro-N-[4-[[3-(trifluoromethyl)phenyl]carbamoylmethoxy]phenyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)OCC(=O)Nc3cccc(c3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C22H16ClF3N2O3/c23-19-7-2-1-6-18(19)21(30)28-15-8-10-17(11-9-15)31-13-20(29)27-16-5-3-4-14(12-16)22(24,25)26/h1-12H,13H2,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,2,23,24,22,6,3,11,15,12,14,26,17,25,10,21,13,5,4,18,7,27,31,28,29,30,20,9,19,8,16/E:(8,9)(10,11)(24,25,26)/rA:31nCCCCCCCONCCCCCCOCCONCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16ClF3N2O3
All Atoms:47
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.1583
Area:646.102
Solvation:-5.99427
Coulombic:-68.5575
Bond Count [?]
All:33
Single:22
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:448.822
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.19
LogP (Chemaxon):5.33

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Descriptor Annotations

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