ChemDB: Chemical Search
Download
Chemical ID: 6948293
Chemical ID:
6948293
Name [?]:
5-(2,5-dichlorophenyl)-N-(2-sec-butylphenyl)-furan-2-carboxamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)c2ccc(o2)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C21H19Cl2NO2/c1-3-13(2)15-6-4-5-7-18(15)24-21(25)20-11-10-19(26-20)16-12-14(22)8-9-17(16)23/h4-13H,3H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,4,2,7,8,6,9,22,23,16,15,20,3,21,5,19,24,10,17,14,12,26,25,11,13,18/rA:26cCCCCCCCCCCNCOCCCCOCCCCCCClCl/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19Cl2NO2 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9719 |
Area: | 609.716 |
Solvation: | -2.27096 |
Coulombic: | -33.9706 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.65 |
LogP (Chemaxon): | 5.48 |
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 |
---|