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Chemical ID: 7319891
Chemical ID:
7319891
Name [?]:
2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylmethyl-methyl-amino]-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)CN(C)CC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)C
InChi [?]:
InChI=1/C21H23ClF3N3O2/c1-12-7-13(2)20(14(3)8-12)27-19(30)11-28(4)10-18(29)26-15-5-6-17(22)16(9-15)21(23,24)25/h5-9H,10-11H2,1-4H3,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,8,30,14,20,21,7,3,24,15,12,2,6,4,19,23,22,16,10,5,25,29,26,27,28,18,9,13,17,11/E:(2,3)(7,8)(13,14)(23,24,25)/rA:30cCCCCCCCCNCOCNCCCONCCCCCCCFFFClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s13;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23ClF3N3O2 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3166 |
Area: | 642.971 |
Solvation: | -5.75763 |
Coulombic: | -62.4097 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 441.874 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.98 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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