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Chemical ID: 4500233
Chemical ID:
4500233
Name [?]:
N-(2-chlorophenyl)-5-ethyl-3-methyl-benzofuran-2-carboxamide
SMILES [?]:
CCc1ccc2c(c1)c(c(o2)C(=O)Nc3ccccc3Cl)C
InChi [?]:
InChI=1/C18H16ClNO2/c1-3-12-8-9-16-13(10-12)11(2)17(22-16)18(21)20-15-7-5-4-6-14(15)19/h4-10H,3H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,18,17,19,16,4,5,8,9,3,7,20,15,6,10,12,21,14,13,11/rA:22nCCCCCCCCCCOCONCCCCCCClC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClNO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2468 |
Area: | 513.742 |
Solvation: | -1.59679 |
Coulombic: | -33.7209 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 313.778 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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