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Chemical ID: 4450516
Chemical ID:
4450516
Name [?]:
N-(3,4-dichlorophenyl)-5-ethyl-furan-2-carboxamide
SMILES [?]:
CCc1ccc(o1)C(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C13H11Cl2NO2/c1-2-9-4-6-12(18-9)13(17)16-8-3-5-10(14)11(15)7-8/h3-7H,2H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,12,4,13,5,16,11,3,14,15,6,8,18,17,10,9,7/rA:18nCCCCCCOCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;s3s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Cl2NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83543 |
Area: | 470.159 |
Solvation: | -1.91856 |
Coulombic: | -31.4222 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 284.137 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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