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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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Chemical Mix	Source	External ID	Descriptor	Value