Chemical ID: 4243572

c1ccc(c(c1)NC(=O)c2ccc(o2)c3ccc(cc3)[N+](=O)[O-])I
Chemical ID:
4243572
Name [?]:
N-(2-iodophenyl)-5-(4-nitrophenyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(o2)c3ccc(cc3)[N+](=O)[O-])I
InChi [?]:
InChI=1/C17H11IN2O4/c18-13-3-1-2-4-14(13)19-17(21)16-10-9-15(24-16)11-5-7-12(8-6-11)20(22)23/h1-10H,(H,19,21)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,16,20,17,19,12,11,15,18,4,5,13,10,8,24,7,21,9,22,23,14/E:(5,6)(7,8)(22,23)/CRV:20.5/rA:24nCCCCCCNCOCCCCOCCCCCCN+OO-I/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;d10;s11;d12;s10s13;s13;s15;d16;s17;d18;d15s19;s18;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11IN2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.35241
Area:557.96
Solvation:-7.5966
Coulombic:-43.7586
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:434.185
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.48
LogP (Chemaxon):3.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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