ChemDB: Chemical Search
Download
Chemical ID: 5976415
Chemical ID:
5976415
Name [?]:
5-(4-chlorobenzoyl)amino-2-dimethylamino-N-(2-methoxyethyl)benzamide
SMILES [?]:
CN(C)c1ccc(cc1C(=O)NCCOC)NC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C19H22ClN3O3/c1-23(2)17-9-8-15(12-16(17)19(25)21-10-11-26-3)22-18(24)13-4-6-14(20)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,16,21,25,22,24,6,5,13,14,8,20,23,7,9,4,18,10,26,12,17,2,19,11,15/E:(1,2)(4,5)(6,7)/rA:26nCNCCCCCCCCONCCOCNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;s15;s7;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClN3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85808 |
Area: | 612.385 |
Solvation: | -5.45154 |
Coulombic: | -56.4472 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.849 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.04 |
LogP (Chemaxon): | 2.62 |
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 |
---|