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Chemical ID: 5195852
Chemical ID:
5195852
Name [?]:
1-(3-chloro-4-fluoro-phenyl)-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
SMILES [?]:
c1cc(ccc1CN2CCN(C2=O)c3ccc(c(c3)Cl)F)F
InChi [?]:
InChI=1/C16H13ClF2N2O/c17-14-9-13(5-6-15(14)19)21-8-7-20(16(21)22)10-11-1-3-12(18)4-2-11/h1-6,9H,7-8,10H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,15,16,9,10,19,7,6,3,14,18,17,12,20,22,21,8,11,13/E:(1,2)(3,4)/rA:22nCCCCCCCNCCNCOCCCCCCClFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s8s11;d12;s11;s14;d15;s16;d17;d14s18;s18;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClF2N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.39813 |
Area: | 486.335 |
Solvation: | -3.76025 |
Coulombic: | -34.3538 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 322.737 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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