Chemical ID: 6018517

CCCNC(=O)CC(c1ccc(cc1)F)c2cn(c3c2cccc3)Cc4ccccc4
Chemical ID:
6018517
Name [?]:
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-propyl-propanamide
SMILES [?]:
CCCNC(=O)CC(c1ccc(cc1)F)c2cn(c3c2cccc3)Cc4ccccc4
InChi [?]:
InChI=1/C27H27FN2O/c1-2-16-29-27(31)17-24(21-12-14-22(28)15-13-21)25-19-30(18-20-8-4-3-5-9-20)26-11-7-6-10-23(25)26/h3-15,19,24H,2,16-18H2,1H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,2,29,28,30,22,23,27,31,21,24,10,14,11,13,3,7,25,17,26,9,12,20,8,16,19,5,15,4,18,6/E:(4,5)(8,9)(12,13)(14,15)/rA:31cCCCNCOCCCCCCCCFCCNCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s8;d16;s17;s18;s16s19;d20;s21;d22;d19s23;s18;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H27FN2O
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.5778
Area:661.716
Solvation:-3.96509
Coulombic:-33.5561
Bond Count [?]
All:34
Single:23
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:414.515
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.92
LogP (Chemaxon):6.38

Name Annotations

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Descriptor Annotations

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