Chemical ID: 6150082

CCCC(=O)Nc1cc(ccc1N2CCN(CC2)C)C(F)(F)F
Chemical ID:
6150082
Name [?]:
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]butanamide
SMILES [?]:
CCCC(=O)Nc1cc(ccc1N2CCN(CC2)C)C(F)(F)F
InChi [?]:
InChI=1/C16H22F3N3O/c1-3-4-15(23)20-13-11-12(16(17,18)19)5-6-14(13)22-9-7-21(2)8-10-22/h5-6,11H,3-4,7-10H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,19,2,3,10,11,15,17,14,18,8,9,7,12,4,20,21,22,23,6,16,13,5/E:(7,8)(9,10)(17,18,19)/rA:23nCCCCONCCCCCCNCCNCCCCFFF/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s16;s13s17;s16;s9;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22F3N3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.63225
Area:509.949
Solvation:-3.11648
Coulombic:-49.9354
Bond Count [?]
All:24
Single:20
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:329.361
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.88
LogP (Chemaxon):3.35

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Descriptor Annotations

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