Chemical ID: 4655963

Cc1cc(ccc1NC(=O)c2cc3ccccc3o2)NC(=O)c4ccco4
Chemical ID:
4655963
Name [?]:
N-[4-(2-furylcarbonylamino)-2-methyl-phenyl]benzofuran-2-carboxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2cc3ccccc3o2)NC(=O)c4ccco4
InChi [?]:
InChI=1/C21H16N2O4/c1-13-11-15(22-20(24)18-7-4-10-26-18)8-9-16(13)23-21(25)19-12-14-5-2-3-6-17(14)27-19/h2-12H,1H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,15,16,25,14,17,24,5,6,26,3,12,2,13,4,7,18,23,11,21,9,20,8,22,10,27,19/rA:27nCCCCCCCNCOCCCCCCCCONCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s4;s20;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.0884
Area:578.638
Solvation:-3.37754
Coulombic:-61.162
Bond Count [?]
All:30
Single:19
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:360.363
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.52
LogP (Chemaxon):3.27

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Descriptor Annotations

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