Chemical ID: 5724509

CCc1cc(ccc1NC(=O)c2ccc(o2)c3ccc(cc3Cl)Cl)I
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

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Descriptor Annotations

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