ChemDB: Chemical Search
Download
Chemical ID: 7422828
Chemical ID:
7422828
Name [?]:
N-(4-fluorophenyl)-4,7,7-trimethyl-2,3-dioxo-norbornane-1-carboxamide
SMILES [?]:
CC1(C2(CCC1(C(=O)C2=O)C(=O)Nc3ccc(cc3)F)C)C
InChi [?]:
InChI=1/C17H18FNO3/c1-15(2)16(3)8-9-17(15,13(21)12(16)20)14(22)19-11-6-4-10(18)5-7-11/h4-7H,8-9H2,1-3H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,16,18,15,19,4,5,17,14,9,7,11,2,3,6,20,13,10,8,12/E:(1,2)(4,5)(6,7)/rA:22cCCCCCCCOCOCONCCCCCCFCC/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;d9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FNO3 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.35142 |
Area: | 462.124 |
Solvation: | -4.20168 |
Coulombic: | -40.0989 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 303.328 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.23 |
LogP (Chemaxon): | 4.83 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|