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Chemical ID: 5778252
Chemical ID:
5778252
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(4-chlorophenoxy)-acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)NCc2ccc3c(c2)OCO3)Cl
InChi [?]:
InChI=1/C16H14ClNO4/c17-12-2-4-13(5-3-12)20-9-16(19)18-8-11-1-6-14-15(7-11)22-10-21-14/h1-7H,8-10H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:14,2,4,1,5,15,18,12,8,20,13,3,6,16,17,9,22,11,10,7,21,19/E:(2,3)(4,5)/rA:22nCCCCCCOCCONCCCCCCCOCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.81008 |
Area: | 532.095 |
Solvation: | -5.49229 |
Coulombic: | -45.4698 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.739 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.2 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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