Chemical ID: 6839244

Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)C(F)(F)F)C
Chemical ID:
6839244
Name [?]:
4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylmethoxy]-N-(2,5-dimethylphenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)C(F)(F)F)C
InChi [?]:
InChI=1/C24H20ClF3N2O3/c1-14-3-4-15(2)20(11-14)30-23(32)16-5-8-18(9-6-16)33-13-22(31)29-21-12-17(24(26,27)28)7-10-19(21)25/h3-12H,13H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,33,3,4,12,16,25,13,15,26,7,23,18,2,5,11,24,14,27,6,22,19,9,29,28,30,31,32,21,8,20,10,17/E:(5,6)(8,9)(26,27,28)/rA:33nCCCCCCCNCOCCCCCCOCCONCCCCCCClCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s24;s29;s29;s29;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20ClF3N2O3
All Atoms:53
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.6132
Area:692.988
Solvation:-5.71154
Coulombic:-68.8685
Bond Count [?]
All:35
Single:24
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:476.875
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.86
LogP (Chemaxon):4.97

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Descriptor Annotations

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