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Chemical ID: 7041296
Chemical ID:
7041296
Name [?]:
N-(2-chlorophenyl)-3,5-dimethyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)c(c(o2)C(=O)Nc3ccccc3Cl)C
InChi [?]:
InChI=1/C17H14ClNO2/c1-10-7-8-15-12(9-10)11(2)16(21-15)17(20)19-14-6-4-3-5-13(14)18/h3-9H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,17,16,18,15,3,4,7,2,8,6,19,14,5,9,11,20,13,12,10/rA:21nCCCCCCCCCOCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s8;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14ClNO2 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5772 |
Area: | 486.589 |
Solvation: | -1.58751 |
Coulombic: | -33.3639 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 299.751 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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