Chemical ID: 6875556

Cc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3)C(F)(F)F
Chemical ID:
6875556
Name [?]:
4-(p-tolylcarbamoylmethoxy)-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C23H19F3N2O3/c1-15-5-9-18(10-6-15)27-21(29)14-31-20-11-7-16(8-12-20)22(30)28-19-4-2-3-17(13-19)23(24,25)26/h2-13H,14H2,1H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,24,25,23,3,7,15,17,4,6,14,18,27,11,2,16,26,5,22,13,9,19,28,29,30,31,8,21,10,20,12/E:(5,6)(7,8)(9,10)(11,12)(24,25,26)/rA:31nCCCCCCCNCOCOCCCCCCCONCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19F3N2O3
All Atoms:50
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.273
Area:646.847
Solvation:-5.89816
Coulombic:-68.5587
Bond Count [?]
All:33
Single:22
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:428.404
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.01
LogP (Chemaxon):5.28

Name Annotations

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Descriptor Annotations

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