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Chemical ID: 4194746
Chemical ID:
4194746
Name [?]:
2-methyl-N,5-diphenyl-furan-3-carboxamide
SMILES [?]:
Cc1c(cc(o1)c2ccccc2)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C18H15NO2/c1-13-16(18(20)19-15-10-6-3-7-11-15)12-17(21-13)14-8-4-2-5-9-14/h2-12H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,19,9,11,18,20,8,12,17,21,4,2,7,16,3,5,13,15,14,6/E:(4,5)(6,7)(8,9)(10,11)/rA:21nCCCCCOCCCCCCCONCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d10;d7s11;s3;d13;s13;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.40773 |
Area: | 484.359 |
Solvation: | -2.70123 |
Coulombic: | -30.5386 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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