Chemical ID: 4441822

CC(C)(C(=O)NCc1ccc2c(c1)OCO2)Oc3ccc(cc3)Cl
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

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