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Chemical ID: 4487735
Chemical ID:
4487735
Name [?]:
N-(2-dimethylaminoethyl)-N'-[3-(trifluoromethyl)phenyl]-oxamide
SMILES [?]:
CN(C)CCNC(=O)C(=O)Nc1cccc(c1)C(F)(F)F
InChi [?]:
InChI=1/C13H16F3N3O2/c1-19(2)7-6-17-11(20)12(21)18-10-5-3-4-9(8-10)13(14,15)16/h3-5,8H,6-7H2,1-2H3,(H,17,20)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,14,15,13,5,4,17,16,12,7,9,18,19,20,21,6,11,2,8,10/E:(1,2)(14,15,16)/rA:21nCNCCCNCOCONCCCCCCCFFF/rB:s1;s2;s2;s4;s5;s6;d7;s7;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16F3N3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38652 |
Area: | 491.912 |
Solvation: | -2.91127 |
Coulombic: | -69.9756 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 303.28 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.24 |
LogP (Chemaxon): | 1.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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