1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea

C13H19FN2O3 — CID 24588095

IUPAC1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
SMILESCOCCOCCCNC(=O)Nc1ccccc1F
InChIInChI=1S/C13H19FN2O3/c1-18-9-10-19-8-4-7-15-13(17)16-12-6-3-2-5-11(12)14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16,17)
InChIKeyVECSZNHITLNLHQ-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.00
Rot. Bonds8

About 1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea

1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea (PubChem CID 24588095) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
PubChem CID24588095
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
SMILESCOCCOCCCNC(=O)Nc1ccccc1F
InChIInChI=1S/C13H19FN2O3/c1-18-9-10-19-8-4-7-15-13(17)16-12-6-3-2-5-11(12)14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16,17)
InChIKeyVECSZNHITLNLHQ-UHFFFAOYSA-N
XLogP2.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea
CID 86871522
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946
1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 40881806
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407931
1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179
1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 113258094
5-N-(2-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103653
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020612
1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea
CID 47050815
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
1-(3-methoxypropyl)-3-(2-propan-2-yloxyphenyl)urea
CID 47221937

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea (CID 24588095) is 1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea is COCCOCCCNC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea?
The InChIKey is VECSZNHITLNLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-18-9-10-19-8-4-7-15-13(17)16-12-6-3-2-5-11(12)14/h2-3,5-6H,4,7-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea?
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea has a molecular weight of 270.30 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea is sourced from PubChem (CID 24588095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).