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Chemical ID: 4770934
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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