1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

C13H16ClFN4O2 — CID 118783630

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESCc1cc(NC(=O)NCCN2CCNC2=O)c(Cl)cc1F
InChIInChI=1S/C13H16ClFN4O2/c1-8-6-11(9(14)7-10(8)15)18-12(20)16-2-4-19-5-3-17-13(19)21/h6-7H,2-5H2,1H3,(H,17,21)(H2,16,18,20)
InChIKeyXDLROHJBYDUDDM-UHFFFAOYSA-N
MW314.75 g/mol
LogP1.93
Rot. Bonds4

About 1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea (PubChem CID 118783630) has the molecular formula C13H16ClFN4O2 and a molecular weight of 314.75 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
PubChem CID118783630
Molecular FormulaC13H16ClFN4O2
Molecular Weight314.75 g/mol
Exact Mass314.09
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESCc1cc(NC(=O)NCCN2CCNC2=O)c(Cl)cc1F
InChIInChI=1S/C13H16ClFN4O2/c1-8-6-11(9(14)7-10(8)15)18-12(20)16-2-4-19-5-3-17-13(19)21/h6-7H,2-5H2,1H3,(H,17,21)(H2,16,18,20)
InChIKeyXDLROHJBYDUDDM-UHFFFAOYSA-N
XLogP1.93
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea (CID 118783630) is 1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea is Cc1cc(NC(=O)NCCN2CCNC2=O)c(Cl)cc1F.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The InChIKey is XDLROHJBYDUDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN4O2/c1-8-6-11(9(14)7-10(8)15)18-12(20)16-2-4-19-5-3-17-13(19)21/h6-7H,2-5H2,1H3,(H,17,21)(H2,16,18,20).
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea has a molecular weight of 314.75 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea is sourced from PubChem (CID 118783630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).