ChemDB: Chemical Search
Download
Chemical ID: 5591341
Chemical ID:
5591341
Name [?]:
N-[2-[(4-acetamidophenyl)carbamoyl]ethyl]-2-chloro-benzamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)CCNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C18H18ClN3O3/c1-12(23)21-13-6-8-14(9-7-13)22-17(24)10-11-20-18(25)15-4-2-3-5-16(15)19/h2-9H,10-11H2,1H3,(H,20,25)(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,23,6,10,7,9,14,15,2,5,8,19,24,12,17,25,16,4,11,3,13,18/E:(6,7)(8,9)/rA:25nCCONCCCCCCNCOCCNCOCCCCCCCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClN3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64389 |
Area: | 588.303 |
Solvation: | -5.06368 |
Coulombic: | -60.0279 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 359.807 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 1.78 |
LogP (Chemaxon): | 2.05 |
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 |
---|