Chemical ID: 6150084

CN1CCN(CC1)c2ccc(cc2NC(=O)CCl)C(F)(F)F
Chemical ID:
6150084
Name [?]:
2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
CN1CCN(CC1)c2ccc(cc2NC(=O)CCl)C(F)(F)F
InChi [?]:
InChI=1/C14H17ClF3N3O/c1-20-4-6-21(7-5-20)12-3-2-10(14(16,17)18)8-11(12)19-13(22)9-15/h2-3,8H,4-7,9H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,10,9,3,7,4,6,12,17,11,13,8,15,19,18,20,21,22,14,2,5,16/E:(4,5)(6,7)(16,17,18)/rA:22nCNCCNCCCCCCCCNCOCClCFFF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s17;s11;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17ClF3N3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.57317
Area:495.538
Solvation:-3.81528
Coulombic:-49.3946
Bond Count [?]
All:23
Single:19
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.752
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.29
LogP (Chemaxon):2.91

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Descriptor Annotations

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