ChemDB: Chemical Search
Download
Chemical ID: 7010322
Chemical ID:
7010322
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)-benzamide
SMILES [?]:
COc1ccc(cc1)c2cccc(c2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C21H15ClF3NO2/c1-28-17-8-5-13(6-9-17)14-3-2-4-15(11-14)20(27)26-19-12-16(21(23,24)25)7-10-18(19)22/h2-12H,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,5,7,21,4,8,22,14,19,6,9,13,20,3,23,18,15,25,24,26,27,28,17,16,2/E:(5,6)(8,9)(23,24,25)/rA:28nCOCCCCCCCCCCCCCONCCCCCCClCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15ClF3NO2 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8416 |
Area: | 593.27 |
Solvation: | -3.99013 |
Coulombic: | -49.9512 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 405.797 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.39 |
LogP (Chemaxon): | 5.28 |
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 |
---|