ChemDB: Chemical Search
Download
Chemical ID: 6154760
Chemical ID:
6154760
Name [?]:
N-(3-bromophenyl)-4-(4-chloro-3-methyl-phenoxy)-butanamide
SMILES [?]:
Cc1cc(ccc1Cl)OCCCC(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C17H17BrClNO2/c1-12-10-15(7-8-16(12)19)22-9-3-6-17(21)20-14-5-2-4-13(18)11-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,11,19,17,12,5,6,10,3,21,2,20,16,4,7,13,22,8,15,14,9/rA:22nCCCCCCCClOCCCCONCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17BrClNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3893 |
Area: | 559.977 |
Solvation: | -3.61014 |
Coulombic: | -28.3583 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 382.679 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.84 |
LogP (Chemaxon): | 5.09 |
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 |
---|