Chemical ID: 6899339

CCOc1ccccc1NC(=O)c2ccc(cc2)OC(C)C(=O)Nc3cc(ccc3Cl)C(F)(F)F
Chemical ID:
6899339
Name [?]:
4-[1-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]ethoxy]-N-(2-ethoxyphenyl)-benzamide
SMILES [?]:
CCOc1ccccc1NC(=O)c2ccc(cc2)OC(C)C(=O)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C25H22ClF3N2O4/c1-3-34-22-7-5-4-6-20(22)30-24(33)16-8-11-18(12-9-16)35-15(2)23(32)31-21-14-17(25(27,28)29)10-13-19(21)26/h4-15H,3H2,1-2H3,(H,30,33)(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,21,2,7,6,8,5,14,18,28,15,17,29,26,20,13,27,16,30,9,25,4,22,11,32,31,33,34,35,10,24,23,12,3,19/E:(8,9)(11,12)(27,28,29)/rA:35cCCOCCCCCCNCOCCCCCCOCCCONCCCCCCClCFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;s20;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s27;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22ClF3N2O4
All Atoms:57
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.2038
Area:732.606
Solvation:-6.11134
Coulombic:-78.0506
Bond Count [?]
All:37
Single:26
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:506.901
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.06
LogP (Chemaxon):5.31

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Descriptor Annotations

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