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Chemical ID: 7028857
Chemical ID:
7028857
Name [?]:
5-(3,4-dichlorophenyl)-N-(2-iodophenyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(o2)c3ccc(c(c3)Cl)Cl)I
InChi [?]:
InChI=1/C17H10Cl2INO2/c18-11-6-5-10(9-12(11)19)15-7-8-16(23-15)17(22)21-14-4-2-1-3-13(14)20/h1-9H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,16,17,12,11,20,15,18,19,4,5,13,10,8,22,21,23,7,9,14/rA:23nCCCCCCNCOCCCCOCCCCCCClClI/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;d10;s11;d12;s10s13;s13;s15;d16;s17;d18;d15s19;s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10Cl2INO2 |
All Atoms: | 33 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2333 |
Area: | 570.155 |
Solvation: | -2.02054 |
Coulombic: | -33.5206 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 458.077 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.96 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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