ChemDB: Chemical Search
Download
Chemical ID: 6462463
Chemical ID:
6462463
Name [?]:
N-(4-acetylphenyl)-4-phenoxy-benzamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)Oc3ccccc3
InChi [?]:
InChI=1/C21H17NO3/c1-15(23)16-7-11-18(12-8-16)22-21(24)17-9-13-20(14-10-17)25-19-5-3-2-4-6-19/h2-14H,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,5,9,14,18,6,8,15,17,2,4,13,7,20,16,11,10,3,12,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25nCCOCCCCCCNCOCCCCCCOCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.966 |
Area: | 552.726 |
Solvation: | -3.85214 |
Coulombic: | -38.3291 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 331.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.31 |
LogP (Chemaxon): | 3.84 |
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 |
---|