Chemical ID: 5717288

CC(C)C(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)c3ccc(cc3)F
Chemical ID:
5717288
Name [?]:
4-fluoro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-benzamide
SMILES [?]:
CC(C)C(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C21H24FN3O2/c1-15(2)21(27)25-13-11-24(12-14-25)19-9-7-18(8-10-19)23-20(26)16-3-5-17(22)6-4-16/h3-10,15H,11-14H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,22,26,23,25,14,16,13,17,8,10,7,11,2,21,24,15,12,19,4,27,18,9,6,20,5/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCONCCNCCCCCCCCNCOCCCCCCF/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24FN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.93693
Area:584.629
Solvation:-4.67879
Coulombic:-47.2736
Bond Count [?]
All:29
Single:21
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:369.433
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.34
LogP (Chemaxon):3.8

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Descriptor Annotations

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