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Chemical ID: 4246417
Chemical ID:
4246417
Name [?]:
N,3,5-trimethyl-N-phenyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)c(c(o2)C(=O)N(C)c3ccccc3)C
InChi [?]:
InChI=1/C18H17NO2/c1-12-9-10-16-15(11-12)13(2)17(21-16)18(20)19(3)14-7-5-4-6-8-14/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,14,18,17,19,16,20,3,4,7,2,8,15,6,5,9,11,13,12,10/E:(5,6)(7,8)/rA:21nCCCCCCCCCOCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;d11;s11;s13;s13;s15;d16;s17;d18;d15s19;s8;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99356 |
Area: | 466.526 |
Solvation: | -1.66961 |
Coulombic: | -28.8264 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.77 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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