Chemical ID: 5902092

CC(C)(C)CC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)c3cccc(c3)F
Chemical ID:
5902092
Name [?]:
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-fluoro-benzamide
SMILES [?]:
CC(C)(C)CC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C23H28FN3O2/c1-23(2,3)16-21(28)27-13-11-26(12-14-27)20-9-7-19(8-10-20)25-22(29)17-5-4-6-18(24)15-17/h4-10,15H,11-14,16H2,1-3H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,3,4,25,24,26,16,18,15,19,10,12,9,13,28,5,23,27,17,14,6,21,2,29,20,11,8,7,22/E:(1,2,3)(7,8)(9,10)(11,12)(13,14)/rA:29nCCCCCCONCCNCCCCCCCCNCOCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28FN3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.9351
Area:621.418
Solvation:-4.60035
Coulombic:-47.4745
Bond Count [?]
All:31
Single:23
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:397.486
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.73
LogP (Chemaxon):4.4

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Descriptor Annotations

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