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Chemical ID: 7028793
Chemical ID:
7028793
Name [?]:
5-(2-chlorophenyl)-N-(2-iodophenyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C(=O)Nc3ccccc3I)Cl
InChi [?]:
InChI=1/C17H11ClINO2/c18-12-6-2-1-5-11(12)15-9-10-16(22-15)17(21)20-14-8-4-3-7-13(14)19/h1-10H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,6,3,19,16,8,9,5,4,20,15,7,10,12,22,21,14,13,11/rA:22nCCCCCCCCCCOCONCCCCCCICl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11ClINO2 |
All Atoms: | 33 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8667 |
Area: | 517.557 |
Solvation: | -2.07227 |
Coulombic: | -33.4366 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 423.632 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.34 |
LogP (Chemaxon): | 4.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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