Chemical ID: 5910997

c1ccc(cc1)CCN(Cc2ccco2)C(=O)c3ccccc3F
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

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Descriptor Annotations

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