Chemical ID: 4638924

Cc1c2ccccc2oc1C(=O)NCc3ccncc3
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue