3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea

C11H15FN2O — CID 2974528

IUPAC3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-14(2)11(15)13-8-7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyZSZPCDYKULKUCN-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.64
Rot. Bonds3

About 3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea

3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea (PubChem CID 2974528) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea
PubChem CID2974528
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-14(2)11(15)13-8-7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyZSZPCDYKULKUCN-UHFFFAOYSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea (CID 2974528) is 3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea?
The InChIKey is ZSZPCDYKULKUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-14(2)11(15)13-8-7-9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15).
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea?
3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea has a molecular weight of 210.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 2974528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).