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Chemical ID: 4208051
Chemical ID:
4208051
Name [?]:
N-(2-ethoxyphenyl)-3-methyl-benzofuran-2-carboxamide
SMILES [?]:
CCOc1ccccc1NC(=O)c2c(c3ccccc3o2)C
InChi [?]:
InChI=1/C18H17NO3/c1-3-21-16-11-7-5-9-14(16)19-18(20)17-12(2)13-8-4-6-10-15(13)22-17/h4-11H,3H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,17,7,18,6,16,8,19,5,14,15,9,20,4,13,11,10,12,3,21/rA:22nCCOCCCCCCNCOCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;d13;s14;s15;d16;s17;d18;d15s19;s13s20;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64 |
Area: | 498.772 |
Solvation: | -2.82931 |
Coulombic: | -40.3604 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 295.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.53 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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