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Chemical ID: 7428199
Chemical ID:
7428199
Name [?]:
N-(3,4-difluorophenyl)-3,3-dimethyl-2-oxo-norbornane-1-carboxamide
SMILES [?]:
CC1(C2CCC(C2)(C1=O)C(=O)Nc3ccc(c(c3)F)F)C
InChi [?]:
InChI=1/C16H17F2NO2/c1-15(2)9-5-6-16(8-9,13(15)20)14(21)19-10-3-4-11(17)12(18)7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,14,15,4,5,18,7,3,13,16,17,8,10,2,6,20,19,12,9,11/E:(1,2)/rA:21cCCCCCCCCOCONCCCCCCFFC/rB:s1;s2;s3;s4;s5;s3s6;s2s6;d8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s2;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17F2NO2 |
All Atoms: | 38 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.99559 |
Area: | 448.417 |
Solvation: | -4.21482 |
Coulombic: | -35.3693 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 293.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.56 |
LogP (Chemaxon): | 4.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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