Chemical ID: 5526816

CC(=O)NCCC(=O)Nc1ccc(cc1)C(F)(F)F
Chemical ID:
5526816
Name [?]:
3-acetamido-N-[4-(trifluoromethyl)phenyl]-propanamide
SMILES [?]:
CC(=O)NCCC(=O)Nc1ccc(cc1)C(F)(F)F
InChi [?]:
InChI=1/C12H13F3N2O2/c1-8(18)16-7-6-11(19)17-10-4-2-9(3-5-10)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,12,14,11,15,6,5,2,13,10,7,16,17,18,19,4,9,3,8/E:(2,3)(4,5)(13,14,15)/rA:19nCCONCCCONCCCCCCCFFF/rB:s1;d2;s2;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13F3N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.16743
Area:451.683
Solvation:-4.12463
Coulombic:-57.3096
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.239
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.53
LogP (Chemaxon):1.36

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