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Chemical ID: 4407550
Chemical ID:
4407550
Name [?]:
5-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-furan-2-carboxamide
SMILES [?]:
CCc1ccccc1NC(=O)c2ccc(o2)c3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C19H15Cl2NO2/c1-2-12-6-3-4-9-15(12)22-19(23)17-11-10-16(24-17)13-7-5-8-14(20)18(13)21/h3-11H,2H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,19,4,18,20,7,14,13,3,17,21,8,15,12,22,10,24,23,9,11,16/rA:24nCCCCCCCCNCOCCCCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15Cl2NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5096 |
Area: | 552.167 |
Solvation: | -2.2946 |
Coulombic: | -33.5715 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.233 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.58 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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