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Chemical ID: 4335130
Chemical ID:
4335130
Name [?]:
(3-chlorophenyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]-methanone
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H16ClFN2O2/c19-15-3-1-2-14(12-15)18(24)22-10-8-21(9-11-22)17(23)13-4-6-16(20)7-5-13/h1-7,12H,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,19,23,20,22,12,14,11,15,4,18,3,5,21,16,8,7,24,13,10,17,9/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCCCCClCONCCNCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClFN2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.30295 |
Area: | 528.722 |
Solvation: | -3.9151 |
Coulombic: | -39.327 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 346.783 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.5 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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