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Chemical ID: 4208889
Chemical ID:
4208889
Name [?]:
N-(4-ethoxyphenyl)-3-methyl-benzofuran-2-carboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2c(c3ccccc3o2)C
InChi [?]:
InChI=1/C18H17NO3/c1-3-21-14-10-8-13(9-11-14)19-18(20)17-12(2)15-6-4-5-7-16(15)22-17/h4-11H,3H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,17,18,16,19,6,8,5,9,14,7,4,15,20,13,11,10,12,3,21/E:(8,9)(10,11)/rA:22nCCOCCCCCCNCOCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;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: | 9.53415 |
Area: | 503.093 |
Solvation: | -3.04317 |
Coulombic: | -39.3194 |
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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