Chemical ID: 4770934

CC(C)(C)C(=O)NC(=O)Nc1ccccc1C(F)(F)F
Chemical ID:
4770934
Name [?]:
2,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]carbamoyl]propanamide
SMILES [?]:
CC(C)(C)C(=O)NC(=O)Nc1ccccc1C(F)(F)F
InChi [?]:
InChI=1/C13H15F3N2O2/c1-12(2,3)10(19)18-11(20)17-9-7-5-4-6-8(9)13(14,15)16/h4-7H,1-3H3,(H2,17,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,13,15,12,16,11,5,8,2,17,18,19,20,10,7,6,9/E:(1,2,3)(14,15,16)/rA:20nCCCCCONCONCCCCCCCFFF/rB:s1;s2;s2;s2;d5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15F3N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.4812
Area:445.876
Solvation:-3.66569
Coulombic:-60.7567
Bond Count [?]
All:20
Single:15
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:288.266
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.47
LogP (Chemaxon):3.84

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