Chemical ID: 5195850

Cc1ccc(cc1)CN2CCN(C2=O)c3ccc(c(c3)Cl)F
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

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Descriptor Annotations

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