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Chemical ID: 6150084
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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