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Chemical ID: 4232101
Chemical ID:
4232101
Name [?]:
3-methyl-N-(3-phenoxyphenyl)-furan-2-carboxamide
SMILES [?]:
Cc1ccoc1C(=O)Nc2cccc(c2)Oc3ccccc3
InChi [?]:
InChI=1/C18H15NO3/c1-13-10-11-21-17(13)18(20)19-14-6-5-9-16(12-14)22-15-7-3-2-4-8-15/h2-12H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,12,11,18,22,13,3,4,15,2,10,17,14,6,7,9,8,5,16/E:(3,4)(7,8)/rA:22nCCCCOCCONCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d2s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47482 |
Area: | 490.031 |
Solvation: | -2.77595 |
Coulombic: | -39.4261 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.32 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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