Chemical ID: 5784000

CCCNC(=O)C(=O)Nc1cccc(c1)C(F)(F)F
Chemical ID:
5784000
Name [?]:
N-propyl-N'-[3-(trifluoromethyl)phenyl]-oxamide
SMILES [?]:
CCCNC(=O)C(=O)Nc1cccc(c1)C(F)(F)F
InChi [?]:
InChI=1/C12H13F3N2O2/c1-2-6-16-10(18)11(19)17-9-5-3-4-8(7-9)12(13,14)15/h3-5,7H,2,6H2,1H3,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,11,3,15,14,10,5,7,16,17,18,19,4,9,6,8/E:(13,14,15)/rA:19nCCCNCOCONCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13F3N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.86063
Area:448.999
Solvation:-2.36434
Coulombic:-65.6296
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:274.239
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.16
LogP (Chemaxon):2.37

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