ChemDB: Chemical Search
Download
Chemical ID: 7275506
Chemical ID:
7275506
Name [?]:
N-(3-bromophenyl)-2-(4-cyanophenoxy)-acetamide
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)COc2ccc(cc2)C#N
InChi [?]:
InChI=1/C15H11BrN2O2/c16-12-2-1-3-13(8-12)18-15(19)10-20-14-6-4-11(9-17)5-7-14/h1-8H,10H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,17,14,18,4,19,11,16,5,3,13,9,7,20,8,10,12/E:(4,5)(6,7)/rA:20nCCCCCCBrNCOCOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11BrN2O2 |
All Atoms: | 31 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.01232 |
Area: | 496.955 |
Solvation: | -4.41155 |
Coulombic: | -31.5549 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 331.164 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.2 |
LogP (Chemaxon): | 3.48 |
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 |
---|