ChemDB: Chemical Search
Download
Chemical ID: 7325653
Chemical ID:
7325653
Name [?]:
N-(2,4-dimorpholinophenyl)-4-fluoro-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc(cc2N3CCOCC3)N4CCOCC4)F
InChi [?]:
InChI=1/C21H24FN3O3/c22-17-3-1-16(2-4-17)21(26)23-19-6-5-18(24-7-11-27-12-8-24)15-20(19)25-9-13-28-14-10-25/h1-6,15H,7-14H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,11,23,27,17,21,24,26,18,20,14,6,3,13,10,15,7,28,9,22,16,8,25,19/E:(1,2)(3,4)(7,8)(9,10)(11,12)(13,14)/rA:28nCCCCCCCONCCCCCCNCCOCCNCCOCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s13;s22;s23;s24;s25;s22s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24FN3O3 |
All Atoms: | 52 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51516 |
Area: | 584.274 |
Solvation: | -6.09169 |
Coulombic: | -54.2052 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 385.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.77 |
LogP (Chemaxon): | 3.09 |
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 |
---|