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Chemical ID: 5191305
Chemical ID:
5191305
Name [?]:
N-(4-acetamidophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)OCc2ccc(o2)C(=O)Nc3ccc(cc3)NC(=O)C
InChi [?]:
InChI=1/C21H20N2O4/c1-14-3-9-18(10-4-14)26-13-19-11-12-20(27-19)21(25)23-17-7-5-16(6-8-17)22-15(2)24/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,3,7,20,22,19,23,4,6,11,12,9,2,25,21,18,5,10,13,15,24,17,26,16,8,14/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCCCCCCCOCCCCCOCONCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;s10s13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3405 |
Area: | 612.127 |
Solvation: | -4.96273 |
Coulombic: | -57.3004 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.6 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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