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Chemical ID: 5910997
Chemical ID:
5910997
Name [?]:
2-fluoro-N-(2-furylmethyl)-N-phenethyl-benzamide
SMILES [?]:
c1ccc(cc1)CCN(Cc2ccco2)C(=O)c3ccccc3F
InChi [?]:
InChI=1/C20H18FNO2/c21-19-11-5-4-10-18(19)20(23)22(15-17-9-6-14-24-17)13-12-16-7-2-1-3-8-16/h1-11,14H,12-13,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,20,21,13,3,5,12,19,22,7,8,14,10,4,11,18,23,16,24,9,17,15/E:(2,3)(7,8)/rA:24nCCCCCCCCNCCCCCOCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;s11s14;s9;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18FNO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83068 |
Area: | 514.3 |
Solvation: | -4.02681 |
Coulombic: | -30.1784 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 323.361 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.01 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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