ChemDB: Chemical Search
Download
Chemical ID: 6472140
Chemical ID:
6472140
Name [?]:
2,4-dichloro-N-[2-(4-hydroxybutylcarbamoyl)phenyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCCCCO)NC(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C18H18Cl2N2O3/c19-12-7-8-13(15(20)11-12)18(25)22-16-6-2-1-5-14(16)17(24)21-9-3-4-10-23/h1-2,5-8,11,23H,3-4,9-10H2,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,6,3,20,19,10,13,22,21,18,5,23,4,7,16,25,24,9,15,14,8,17/rA:25nCCCCCCCONCCCCONCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s4;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18Cl2N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1668 |
Area: | 602.223 |
Solvation: | -3.88874 |
Coulombic: | -61.3596 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 381.253 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 4.08 |
LogP (Chemaxon): | 3.75 |
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 |
---|