ChemDB: Chemical Search
Download
Chemical ID: 5515958
Chemical ID:
5515958
Name [?]:
N-[1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-2-methyl-propyl]-2-fluoro-benzamide
SMILES [?]:
CC(C)C(C(=O)NCCc1ccc(c(c1)OC)OC)NC(=O)c2ccccc2F
InChi [?]:
InChI=1/C22H27FN2O4/c1-14(2)20(25-21(26)16-7-5-6-8-17(16)23)22(27)24-12-11-15-9-10-18(28-3)19(13-15)29-4/h5-10,13-14,20H,11-12H2,1-4H3,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,19,17,25,26,24,27,11,12,9,8,15,2,10,23,28,13,14,4,21,5,29,7,20,22,6,18,16/E:(1,2)/rA:29cCCCCCONCCCCCCCCOCOCNCOCCCCCCF/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s4;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27FN2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.66125 |
Area: | 643.751 |
Solvation: | -7.43254 |
Coulombic: | -61.7602 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 402.459 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.37 |
LogP (Chemaxon): | 2.94 |
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 |
---|