ChemDB: Chemical Search
Download
Chemical ID: 6150618
Chemical ID:
6150618
Name [?]:
N-(4-iodophenyl)-5-[2-(trifluoromethyl)phenyl]-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C(=O)Nc3ccc(cc3)I)C(F)(F)F
InChi [?]:
InChI=1/C18H11F3INO2/c19-18(20,21)14-4-2-1-3-13(14)15-9-10-16(25-15)17(24)23-12-7-5-11(22)6-8-12/h1-10H,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,19,16,20,8,9,18,15,5,4,7,10,12,22,23,24,25,21,14,13,11/E:(5,6)(7,8)(19,20,21)/rA:25nCCCCCCCCCCOCONCCCCCCICFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s4;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H11F3INO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5857 |
Area: | 540.107 |
Solvation: | -2.91699 |
Coulombic: | -50.7453 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 457.185 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.64 |
LogP (Chemaxon): | 5.37 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|