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Chemical ID: 7303518
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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