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Chemical ID: 7423028
Chemical ID:
7423028
Name [?]:
7,7-dimethyl-2,3-dioxo-N-[3-(trifluoromethyl)phenyl]-norbornane-1-carboxamide
SMILES [?]:
CC1(C2CCC1(C(=O)C2=O)C(=O)Nc3cccc(c3)C(F)(F)F)C
InChi [?]:
InChI=1/C17H16F3NO3/c1-15(2)11-6-7-16(15,13(23)12(11)22)14(24)21-10-5-3-4-9(8-10)17(18,19)20/h3-5,8,11H,6-7H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,24,16,17,15,4,5,19,18,14,3,9,7,11,2,6,20,21,22,23,13,10,8,12/E:(1,2)(18,19,20)/rA:24cCCCCCCCOCOCONCCCCCCCFFFC/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;d9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16F3NO3 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.92721 |
Area: | 483.311 |
Solvation: | -4.15555 |
Coulombic: | -54.7283 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 339.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.79 |
LogP (Chemaxon): | 4.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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