1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea

C13H19FN2O3 — CID 111508672

IUPAC1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea
SMILESCC(CNC(=O)NCCCO)Oc1ccccc1F
InChIInChI=1S/C13H19FN2O3/c1-10(9-16-13(18)15-7-4-8-17)19-12-6-3-2-5-11(12)14/h2-3,5-6,10,17H,4,7-9H2,1H3,(H2,15,16,18)
InChIKeySJCNOXMIRBXZCL-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.27
Rot. Bonds7

About 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea

1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea (PubChem CID 111508672) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea
PubChem CID111508672
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea
SMILESCC(CNC(=O)NCCCO)Oc1ccccc1F
InChIInChI=1S/C13H19FN2O3/c1-10(9-16-13(18)15-7-4-8-17)19-12-6-3-2-5-11(12)14/h2-3,5-6,10,17H,4,7-9H2,1H3,(H2,15,16,18)
InChIKeySJCNOXMIRBXZCL-UHFFFAOYSA-N
XLogP1.27
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111482952
1-[2-(2-fluorophenoxy)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619056
1-[2-(2-fluorophenoxy)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111508685
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804898
1-[2-(2-fluorophenoxy)propyl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 71868329
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(3-hydroxypropyl)urea
CID 111509592
3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid
CID 122004183
1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508541
1-[2-(2-fluorophenoxy)propyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111494721
1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea
CID 110607188
N-[2-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111685041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea (CID 111508672) is 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea is CC(CNC(=O)NCCCO)Oc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea?
The InChIKey is SJCNOXMIRBXZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-10(9-16-13(18)15-7-4-8-17)19-12-6-3-2-5-11(12)14/h2-3,5-6,10,17H,4,7-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea?
1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea has a molecular weight of 270.30 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 111508672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).