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Chemical ID: 7425451
Chemical ID:
7425451
Name [?]:
N-benzyl-2-(5-chloro-6-methyl-benzofuran-3-yl)-acetamide
SMILES [?]:
Cc1cc2c(cc1Cl)c(co2)CC(=O)NCc3ccccc3
InChi [?]:
InChI=1/C18H16ClNO2/c1-12-7-17-15(9-16(12)19)14(11-22-17)8-18(21)20-10-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,3,12,6,16,10,2,17,9,5,7,4,13,8,15,14,11/E:(3,4)(5,6)/rA:22nCCCCCCCClCCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s4s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClNO2 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8017 |
Area: | 524.894 |
Solvation: | -3.32066 |
Coulombic: | -29.0586 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 313.778 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.76 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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