ChemDB: Chemical Search
Download
Chemical ID: 7277812
Chemical ID:
7277812
Name [?]:
2-azepan-1-yl-N-(4-bromo-2-fluoro-phenyl)-acetamide
SMILES [?]:
c1cc(c(cc1Br)F)NC(=O)CN2CCCCCC2
InChi [?]:
InChI=1/C14H18BrFN2O/c15-11-5-6-13(12(16)9-11)17-14(19)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:16,17,15,18,1,2,14,19,5,12,6,4,3,10,7,8,9,13,11/E:(1,2)(3,4)(7,8)/rA:19nCCCCCCBrFNCOCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;s14;s15;s16;s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18BrFN2O |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56489 |
Area: | 455.653 |
Solvation: | -2.82643 |
Coulombic: | -30.0135 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 329.208 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.98 |
LogP (Chemaxon): | 2.64 |
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 |
---|