ChemDB: Chemical Search
Download
Chemical ID: 5837099
Chemical ID:
5837099
Name [?]:
2-chloro-N-(2,5-dimethoxyphenyl)-benzamide
SMILES [?]:
COc1ccc(c(c1)NC(=O)c2ccccc2Cl)OC
InChi [?]:
InChI=1/C15H14ClNO3/c1-19-10-7-8-14(20-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,14,15,13,16,4,5,8,3,12,17,7,6,10,18,9,11,2,19/rA:20nCOCCCCCCNCOCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s6;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.33123 |
Area: | 471.312 |
Solvation: | -4.45157 |
Coulombic: | -36.6894 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 291.729 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.45 |
LogP (Chemaxon): | 3.12 |
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 |
---|