Chemical ID: 5815162

Cc1c(c2ccccc2[nH]1)CCNC3=CC(=O)CC(C3)c4ccc(cc4)F
Chemical ID:
5815162
Name [?]:
5-(4-fluorophenyl)-3-[2-(2-methyl-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one
SMILES [?]:
Cc1c(c2ccccc2[nH]1)CCNC3=CC(=O)CC(C3)c4ccc(cc4)F
InChi [?]:
InChI=1/C23H23FN2O/c1-15-21(22-4-2-3-5-23(22)26-15)10-11-25-19-12-17(13-20(27)14-19)16-6-8-18(24)9-7-16/h2-9,14,17,25-26H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,5,8,22,26,23,25,11,12,20,18,15,2,21,19,24,14,16,3,4,9,27,13,10,17/E:(6,7)(8,9)/rA:27cCCCCCCCCCNCCNCCCOCCCCCCCCCF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;s11;s12;s13;d14;s15;d16;s16;s18;s14s19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23FN2O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.9886
Area:590.627
Solvation:-3.77712
Coulombic:-34.7198
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.44
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.91
LogP (Chemaxon):4.28

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Descriptor Annotations

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