Chemical ID: 4196067

Cc1ccc2c(c1)c(c(o2)C(=O)NCc3ccccc3)C
Chemical ID:
4196067
Name [?]:
N-benzyl-3,5-dimethyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)c(c(o2)C(=O)NCc3ccccc3)C
InChi [?]:
InChI=1/C18H17NO2/c1-12-8-9-16-15(10-12)13(2)17(21-16)18(20)19-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,18,17,19,16,20,3,4,7,14,2,8,15,6,5,9,11,13,12,10/E:(4,5)(6,7)/rA:21nCCCCCCCCCOCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;d11;s11;s13;s14;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:10.4543
Area:492.098
Solvation:-1.84815
Coulombic:-33.8918
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.333
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.77
LogP (Chemaxon):4.0

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Descriptor Annotations

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