ChemDB: Chemical Search
Download
Chemical ID: 4441822
Chemical ID:
4441822
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(4-chlorophenoxy)-2-methyl-propanamide
SMILES [?]:
CC(C)(C(=O)NCc1ccc2c(c1)OCO2)Oc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H18ClNO4/c1-18(2,24-14-6-4-13(19)5-7-14)17(21)20-10-12-3-8-15-16(9-12)23-11-22-15/h3-9H,10-11H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,9,20,22,19,23,10,13,7,15,8,21,18,11,12,4,2,24,6,5,16,14,17/E:(1,2)(4,5)(6,7)/rA:24nCCCCONCCCCCCCOCOOCCCCCCCl/rB:s1;s2;s2;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11s15;s2;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClNO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83703 |
Area: | 551.532 |
Solvation: | -4.95127 |
Coulombic: | -47.2968 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 347.793 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.44 |
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 |
---|