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Chemical ID: 6950027
Chemical ID:
6950027
Name [?]:
5-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-furan-2-carboxamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)c2ccc(o2)c3cc(ccc3Cl)Cl)C
InChi [?]:
InChI=1/C19H15Cl2NO2/c1-11-7-12(2)9-14(8-11)22-19(23)18-6-5-17(24-18)15-10-13(20)3-4-16(15)21/h3-10H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,19,20,13,12,3,7,5,17,2,4,18,6,16,21,14,11,9,23,22,8,10,15/E:(1,2)(8,9)(11,12)/rA:24nCCCCCCCNCOCCCCOCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s21;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15Cl2NO2 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9091 |
Area: | 568.695 |
Solvation: | -2.30825 |
Coulombic: | -32.6016 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 360.233 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.76 |
LogP (Chemaxon): | 5.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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