Chemical ID: 6032692

CCCCCCN(CCC(=O)NCc1ccc(cc1)F)C(=O)c2ccoc2
Chemical ID:
6032692
Name [?]:
N-[2-[(4-fluorophenyl)methylcarbamoyl]ethyl]-N-hexyl-furan-3-carboxamide
SMILES [?]:
CCCCCCN(CCC(=O)NCc1ccc(cc1)F)C(=O)c2ccoc2
InChi [?]:
InChI=1/C21H27FN2O3/c1-2-3-4-5-12-24(21(26)18-11-14-27-16-18)13-10-20(25)23-15-17-6-8-19(22)9-7-17/h6-9,11,14,16H,2-5,10,12-13,15H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,15,19,16,18,9,24,6,8,25,13,27,14,23,17,10,21,20,12,7,11,22,26/E:(6,7)(8,9)/rA:27nCCCCCCNCCCONCCCCCCCFCOCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s7;d21;s21;s23;d24;s25;d23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27FN2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.2881
Area:640.056
Solvation:-4.71334
Coulombic:-48.9222
Bond Count [?]
All:28
Single:21
Double:7
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:374.449
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.86
LogP (Chemaxon):3.4

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