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Chemical ID: 5784000
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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