Chemical ID: 4208889

CCOc1ccc(cc1)NC(=O)c2c(c3ccccc3o2)C
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

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Descriptor Annotations

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