ChemDB: Chemical Search
Download
Chemical ID: 7272287
Chemical ID:
7272287
Name [?]:
N-(2-bromophenyl)-4-cyano-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(cc2)C#N)Br
InChi [?]:
InChI=1/C14H9BrN2O/c15-12-3-1-2-4-13(12)17-14(18)11-7-5-10(9-16)6-8-11/h1-8H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,12,14,11,15,16,13,10,4,5,8,18,17,7,9/E:(5,6)(7,8)/rA:18nCCCCCCNCOCCCCCCCNBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;t16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9BrN2O |
All Atoms: | 27 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13674 |
Area: | 445.764 |
Solvation: | -2.00737 |
Coulombic: | -26.7006 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 301.138 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.06 |
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 |
---|