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Chemical ID: 5724509
Chemical ID:
5724509
Name [?]:
5-(2,4-dichlorophenyl)-N-(2-ethyl-4-iodo-phenyl)-furan-2-carboxamide
SMILES [?]:
CCc1cc(ccc1NC(=O)c2ccc(o2)c3ccc(cc3Cl)Cl)I
InChi [?]:
InChI=1/C19H14Cl2INO2/c1-2-11-9-13(22)4-6-16(11)23-19(24)18-8-7-17(25-18)14-5-3-12(20)10-15(14)21/h3-10H,2H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,19,6,18,7,14,13,4,21,3,20,5,17,22,8,15,12,10,24,23,25,9,11,16/rA:25nCCCCCCCCNCOCCCCOCCCCCCClClI/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14Cl2INO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0673 |
Area: | 607.754 |
Solvation: | -2.12654 |
Coulombic: | -33.1004 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 486.13 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.65 |
LogP (Chemaxon): | 5.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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