ChemDB: Chemical Search
Download
Chemical ID: 7028578
Chemical ID:
7028578
Name [?]:
N-(4-butylphenyl)-5-(2,4-dichlorophenyl)-furan-2-carboxamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2ccc(o2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H19Cl2NO2/c1-2-3-4-14-5-8-16(9-6-14)24-21(25)20-12-11-19(26-20)17-10-7-15(22)13-18(17)23/h5-13H,2-4H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,6,10,21,7,9,20,16,15,23,5,22,8,19,24,17,14,12,26,25,11,13,18/E:(5,6)(8,9)/rA:26nCCCCCCCCCCNCOCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19Cl2NO2 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3091 |
Area: | 625.422 |
Solvation: | -2.32647 |
Coulombic: | -33.8116 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.93 |
LogP (Chemaxon): | 6.19 |
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 |
---|