Chemical ID: 7303518

CC(C(=O)NCc1ccc2c(c1)OCO2)Oc3cc(ccc3Cl)Cl
Chemical ID:
7303518
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(2,5-dichlorophenoxy)-propanamide
SMILES [?]:
CC(C(=O)NCc1ccc2c(c1)OCO2)Oc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C17H15Cl2NO4/c1-10(24-15-7-12(18)3-4-13(15)19)17(21)20-8-11-2-5-14-16(6-11)23-9-22-14/h2-7,10H,8-9H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,20,21,9,12,18,6,14,2,7,19,22,10,17,11,3,24,23,5,4,15,13,16/rA:24cCCCONCCCCCCCOCOOCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10s14;s2;s16;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15Cl2NO4
All Atoms:39
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.93698
Area:574.06
Solvation:-5.41451
Coulombic:-46.2194
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:368.211
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.35
LogP (Chemaxon):3.75

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