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Chemical ID: 4037993
Chemical ID:
4037993
Name [?]:
N-(3-ethylphenyl)-4-(4-fluorophenyl)-piperazine-1-carboxamide
SMILES [?]:
CCc1cccc(c1)NC(=O)N2CCN(CC2)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H22FN3O/c1-2-15-4-3-5-17(14-15)21-19(24)23-12-10-22(11-13-23)18-8-6-16(20)7-9-18/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,20,22,19,23,14,16,13,17,8,3,21,7,18,10,24,9,15,12,11/E:(6,7)(8,9)(10,11)(12,13)/rA:24nCCCCCCCCNCONCCNCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22FN3O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.87014 |
Area: | 532.193 |
Solvation: | -3.43469 |
Coulombic: | -41.1448 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 327.396 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.93 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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