Chemical ID: 5692261

CC(C)(C)c1ccc(cc1)CN(C)CC(=O)Nc2ccc(c(c2F)F)F
Chemical ID:
5692261
Name [?]:
2-[methyl-[(4-tert-butylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)-acetamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)CN(C)CC(=O)Nc2ccc(c(c2F)F)F
InChi [?]:
InChI=1/C20H23F3N2O/c1-20(2,3)14-7-5-13(6-8-14)11-25(4)12-17(26)24-16-10-9-15(21)18(22)19(16)23/h5-10H,11-12H2,1-4H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,7,9,6,10,20,19,11,14,8,5,21,18,15,22,23,2,26,25,24,17,12,16/E:(1,2,3)(5,6)(7,8)/rA:26cCCCCCCCCCCCNCCCONCCCCCCFFF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s12;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23F3N2O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.07481
Area:564.515
Solvation:-5.03806
Coulombic:-37.7824
Bond Count [?]
All:27
Single:20
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.405
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.81
LogP (Chemaxon):4.41

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Descriptor Annotations

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