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Chemical ID: 7281383
Chemical ID:
7281383
Name [?]:
7-chloro-3-methyl-N-tert-butyl-benzofuran-2-carboxamide
SMILES [?]:
Cc1c2cccc(c2oc1C(=O)NC(C)(C)C)Cl
InChi [?]:
InChI=1/C14H16ClNO2/c1-8-9-6-5-7-10(15)12(9)18-11(8)13(17)16-14(2,3)4/h5-7H,1-4H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,16,17,5,4,6,2,3,7,10,8,11,14,18,13,12,9/E:(2,3,4)/rA:18nCCCCCCCCOCCONCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;s14;s14;s7;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16ClNO2 |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66233 |
Area: | 446.336 |
Solvation: | -1.49606 |
Coulombic: | -32.8718 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 265.735 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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