ChemDB: Chemical Search
Download
Chemical ID: 7425933
Chemical ID:
7425933
Name [?]:
N-(4-fluorophenyl)-7,7-dimethyl-2,3-dioxo-norbornane-1-carboxamide
SMILES [?]:
CC1(C2CCC1(C(=O)C2=O)C(=O)Nc3ccc(cc3)F)C
InChi [?]:
InChI=1/C16H16FNO3/c1-15(2)11-7-8-16(15,13(20)12(11)19)14(21)18-10-5-3-9(17)4-6-10/h3-6,11H,7-8H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,21,16,18,15,19,4,5,17,14,3,9,7,11,2,6,20,13,10,8,12/E:(1,2)(3,4)(5,6)/rA:21cCCCCCCCOCOCONCCCCCCFC/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;d9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s2;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FNO3 |
All Atoms: | 37 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.85061 |
Area: | 446.654 |
Solvation: | -4.31573 |
Coulombic: | -39.4946 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 289.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.03 |
LogP (Chemaxon): | 4.17 |
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 |
---|