1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea

C11H15FN2O2 — CID 110675926

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea
SMILESCOCNC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2/c1-16-8-14-11(15)13-7-6-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H2,13,14,15)
InChIKeySTIBWYZAFJFGSO-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.27
Rot. Bonds5

About 1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea

1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea (PubChem CID 110675926) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea
PubChem CID110675926
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea
SMILESCOCNC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2/c1-16-8-14-11(15)13-7-6-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H2,13,14,15)
InChIKeySTIBWYZAFJFGSO-UHFFFAOYSA-N
XLogP1.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea
CID 108893063
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217101
1-[(2,3-dimethylphenoxy)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108878491
1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
methyl 2-[2-(4-fluorophenyl)ethylamino]-2-oxoacetate
CID 112616592
1-[2-(4-fluorophenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910401
1-[2-(4-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115575958
1-[2-(4-bromophenyl)ethyl]-3-(2-methoxyethoxymethyl)urea
CID 108894589
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea (CID 110675926) is 1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea is COCNC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea?
The InChIKey is STIBWYZAFJFGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-16-8-14-11(15)13-7-6-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea?
1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea has a molecular weight of 226.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-(methoxymethyl)urea is sourced from PubChem (CID 110675926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).