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Chemical ID: 4241697
Chemical ID:
4241697
Name [?]:
N-[2-(2-chlorophenoxy)ethyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)NCCOc2ccccc2Cl
InChi [?]:
InChI=1/C16H16ClNO2/c1-12-6-2-3-7-13(12)16(19)18-10-11-20-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,5,17,16,3,6,18,15,11,12,2,7,19,14,8,20,10,9,13/rA:20nCCCCCCCCONCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4233 |
Area: | 497.306 |
Solvation: | -3.00934 |
Coulombic: | -32.23 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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