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Chemical ID: 5195850
Chemical ID:
5195850
Name [?]:
1-(3-chloro-4-fluoro-phenyl)-3-(p-tolylmethyl)imidazolidin-2-one
SMILES [?]:
Cc1ccc(cc1)CN2CCN(C2=O)c3ccc(c(c3)Cl)F
InChi [?]:
InChI=1/C17H16ClFN2O/c1-12-2-4-13(5-3-12)11-20-8-9-21(17(20)22)14-6-7-16(19)15(18)10-14/h2-7,10H,8-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,16,17,10,11,20,8,2,5,15,19,18,13,21,22,9,12,14/E:(2,3)(4,5)/rA:22nCCCCCCCCNCCNCOCCCCCCClF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s9s12;d13;s12;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClFN2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.57383 |
Area: | 500.422 |
Solvation: | -2.93671 |
Coulombic: | -31.072 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 318.773 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.92 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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