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Chemical ID: 4488961
Chemical ID:
4488961
Name [?]:
N-(4-chlorophenyl)-4-[[2-(trifluoromethyl)phenyl]carbamoylmethoxy]benzamide
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H16ClF3N2O3/c23-15-7-9-16(10-8-15)27-21(30)14-5-11-17(12-6-14)31-13-20(29)28-19-4-2-1-3-18(19)22(24,25)26/h1-12H,13H2,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,20,27,29,26,30,17,21,14,19,28,25,16,5,4,12,22,7,31,8,9,10,24,11,13,23,15/E:(5,6)(7,8)(9,10)(11,12)(24,25,26)/rA:31nCCCCCCCFFFNCOCOCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16ClF3N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9712 |
Area: | 654.901 |
Solvation: | -5.40131 |
Coulombic: | -69.5179 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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