ChemDB: Chemical Search
Download
Chemical ID: 4017349
Chemical ID:
4017349
Name [?]:
4-(2-chlorophenyl)-N-(m-tolyl)piperazine-1-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)N2CCN(CC2)c3ccccc3Cl
InChi [?]:
InChI=1/C18H20ClN3O/c1-14-5-4-6-15(13-14)20-18(23)22-11-9-21(10-12-22)17-8-3-2-7-16(17)19/h2-8,13H,9-12H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,20,19,4,3,5,21,18,13,15,12,16,7,2,6,22,17,9,23,8,14,11,10/E:(9,10)(11,12)/rA:23nCCCCCCCNCONCCNCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20ClN3O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6961 |
Area: | 530.33 |
Solvation: | -2.56215 |
Coulombic: | -38.5421 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 329.824 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.93 |
LogP (Chemaxon): | 4.53 |
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 |
---|