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Chemical ID: 7328127
Chemical ID:
7328127
Name [?]:
N-(2-chlorophenyl)-2-(6-methylbenzofuran-3-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)occ2CC(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C17H14ClNO2/c1-11-6-7-13-12(10-21-16(13)8-11)9-17(20)19-15-5-3-2-4-14(15)18/h2-8,10H,9H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,3,4,7,11,9,2,10,5,20,15,6,12,21,14,13,8/rA:21nCCCCCCCOCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14ClNO2 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13952 |
Area: | 493.767 |
Solvation: | -3.20464 |
Coulombic: | -28.4952 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 299.751 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.83 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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