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Chemical ID: 4638924
Chemical ID:
4638924
Name [?]:
3-methyl-N-(4-pyridylmethyl)benzofuran-2-carboxamide
SMILES [?]:
Cc1c2ccccc2oc1C(=O)NCc3ccncc3
InChi [?]:
InChI=1/C16H14N2O2/c1-11-13-4-2-3-5-14(13)20-15(11)16(19)18-10-12-6-8-17-9-7-12/h2-9H,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,7,16,20,17,19,14,2,15,3,8,10,11,18,13,12,9/E:(6,7)(8,9)/rA:20nCCCCCCCCOCCONCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.10674 |
Area: | 465.257 |
Solvation: | -2.52468 |
Coulombic: | -36.7022 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 266.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.09 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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