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Chemical ID: 4274586
Chemical ID:
4274586
Name [?]:
N-(3-benzamido-4-methyl-phenyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2ccccc2)NC(=O)c3ccco3
InChi [?]:
InChI=1/C19H16N2O3/c1-13-9-10-15(20-19(23)17-8-5-11-24-17)12-16(13)21-18(22)14-6-3-2-4-7-14/h2-12H,1H3,(H,20,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,22,12,16,21,3,4,23,6,2,11,5,7,20,9,18,17,8,10,19,24/E:(3,4)(6,7)/rA:24nCCCCCCCNCOCCCCCCNCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s5;s17;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.226 |
Area: | 534.996 |
Solvation: | -3.14889 |
Coulombic: | -52.5609 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.342 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.89 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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