Chemical ID: 4161227

CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3)C(F)(F)F
Chemical ID:
4161227
Name [?]:
4-[(4-ethoxyphenyl)carbamoylmethoxy]-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COc2ccc(cc2)C(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C24H21F3N2O4/c1-2-32-20-12-8-18(9-13-20)28-22(30)15-33-21-10-6-16(7-11-21)23(31)29-19-5-3-4-17(14-19)24(25,26)27/h3-14H,2,15H2,1H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,2,26,27,25,17,19,6,8,16,20,5,9,29,13,18,28,7,24,4,15,11,21,30,31,32,33,10,23,12,22,3,14/E:(6,7)(8,9)(10,11)(12,13)(25,26,27)/rA:33nCCOCCCCCCNCOCOCCCCCCCONCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;s28;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21F3N2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.2383
Area:690.409
Solvation:-7.02194
Coulombic:-75.2776
Bond Count [?]
All:35
Single:24
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:458.43
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.91
LogP (Chemaxon):4.9

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Descriptor Annotations

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