ChemDB: Chemical Search
Download
Chemical ID: 4733063
Chemical ID:
4733063
Name [?]:
2-bromo-N-(4-isopropylphenyl)-2-phenyl-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)C(c2ccccc2)Br
InChi [?]:
InChI=1/C17H18BrNO/c1-12(2)13-8-10-15(11-9-13)19-17(20)16(18)14-6-4-3-5-7-14/h3-12,16H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,15,19,5,9,6,8,2,4,14,7,13,11,20,10,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:20cCCCCCCCCCNCOCCCCCCCBr/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s13;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18BrNO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0986 |
Area: | 493.121 |
Solvation: | -2.22938 |
Coulombic: | -23.6963 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.235 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.75 |
LogP (Chemaxon): | 5.19 |
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 |
---|