Chemical ID: 7319891

Cc1cc(c(c(c1)C)NC(=O)CN(C)CC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)C
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

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Descriptor Annotations

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