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Chemical ID: 7262094
Chemical ID:
7262094
Name [?]:
N-methyl-N-[(5-methyl-2-furyl)methyl]-4-phenoxy-benzamide
SMILES [?]:
Cc1ccc(o1)CN(C)C(=O)c2ccc(cc2)Oc3ccccc3
InChi [?]:
InChI=1/C20H19NO3/c1-15-8-11-19(23-15)14-21(2)20(22)16-9-12-18(13-10-16)24-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,22,21,23,20,24,3,13,17,4,14,16,7,2,12,19,15,5,10,8,11,6,18/E:(4,5)(6,7)(9,10)(12,13)/rA:24nCCCCCOCNCCOCCCCCCOCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s8;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO3 |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86275 |
Area: | 533.411 |
Solvation: | -3.47253 |
Coulombic: | -33.5719 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.37 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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