Chemical ID: 6150618

c1ccc(c(c1)c2ccc(o2)C(=O)Nc3ccc(cc3)I)C(F)(F)F
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

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Descriptor Annotations

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