ChemDB: Chemical Search
Download
Chemical ID: 6924471
Chemical ID:
6924471
Name [?]:
N-(4-chlorophenyl)-4-pentanoylamino-benzamide
SMILES [?]:
CCCCC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H19ClN2O2/c1-2-3-4-17(22)20-15-9-5-13(6-10-15)18(23)21-16-11-7-14(19)8-12-16/h5-12H,2-4H2,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,10,12,19,21,9,13,18,22,11,20,8,17,5,14,23,7,16,6,15/E:(5,6)(7,8)(9,10)(11,12)/rA:23nCCCCCONCCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2O2 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1152 |
Area: | 564.603 |
Solvation: | -2.9999 |
Coulombic: | -42.7867 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 330.808 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.37 |
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 |
---|