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Chemical ID: 4406671
Chemical ID:
4406671
Name [?]:
5-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-furan-2-carboxamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)c2ccc(o2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H16ClNO2/c1-12-4-3-5-16(13(12)2)21-19(22)18-11-10-17(23-18)14-6-8-15(20)9-7-14/h3-11H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,18,22,19,21,14,13,2,7,17,20,6,15,12,10,23,9,11,16/E:(6,7)(8,9)/rA:23nCCCCCCCCNCOCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16ClNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2837 |
Area: | 537.507 |
Solvation: | -2.15398 |
Coulombic: | -33.0815 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.789 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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