Chemical ID: 5936818

CCCCN(Cc1cccn1Cc2cccc(c2)C(F)(F)F)C(=O)CCC
Chemical ID:
5936818
Name [?]:
N-butyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]butanamide
SMILES [?]:
CCCCN(Cc1cccn1Cc2cccc(c2)C(F)(F)F)C(=O)CCC
InChi [?]:
InChI=1/C21H27F3N2O/c1-3-5-12-26(20(27)8-4-2)16-19-11-7-13-25(19)15-17-9-6-10-18(14-17)21(22,23)24/h6-7,9-11,13-14H,3-5,8,12,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,26,3,15,9,25,14,16,8,4,10,18,12,6,13,17,7,23,19,20,21,22,11,5,24/E:(22,23,24)/rA:27nCCCCNCCCCCNCCCCCCCCFFFCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;s5;d23;s23;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27F3N2O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.8086
Area:607.177
Solvation:-3.37086
Coulombic:-42.2934
Bond Count [?]
All:28
Single:22
Double:6
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:380.447
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.48
LogP (Chemaxon):5.15

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