3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea

C17H25FN2O3 — CID 111475508

IUPAC3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1ccc(OC2CCCC2)c(F)c1
InChIInChI=1S/C17H25FN2O3/c1-2-9-20(10-11-21)17(22)19-13-7-8-16(15(18)12-13)23-14-5-3-4-6-14/h7-8,12,14,21H,2-6,9-11H2,1H3,(H,19,22)
InChIKeyROSIQIMOIUSBHL-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.38
Rot. Bonds7

About 3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea

3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 111475508) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
PubChem CID111475508
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1ccc(OC2CCCC2)c(F)c1
InChIInChI=1S/C17H25FN2O3/c1-2-9-20(10-11-21)17(22)19-13-7-8-16(15(18)12-13)23-14-5-3-4-6-14/h7-8,12,14,21H,2-6,9-11H2,1H3,(H,19,22)
InChIKeyROSIQIMOIUSBHL-UHFFFAOYSA-N
XLogP3.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea 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-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111475511
3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397107
3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431508
3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide
CID 120501730
2-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methylpentanamide
CID 119811156
(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
1-butyl-3-(3-fluoro-4-methylsulfanylphenyl)-1-(2-hydroxyethyl)urea
CID 111475389
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111750960
7-amino-N-(4-cyclopentyloxy-3-fluorophenyl)heptanamide
CID 119806500
1-butyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1-(2-hydroxyethyl)urea
CID 110896952
dimethyl (E)-2-(4-cyclopentyloxy-3-fluoroanilino)but-2-enedioate
CID 168568895
5-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methoxy-N-methylbenzamide
CID 118766247

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea (CID 111475508) is 3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)Nc1ccc(OC2CCCC2)c(F)c1.
What is the InChIKey of 3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is ROSIQIMOIUSBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-2-9-20(10-11-21)17(22)19-13-7-8-16(15(18)12-13)23-14-5-3-4-6-14/h7-8,12,14,21H,2-6,9-11H2,1H3,(H,19,22).
What are the key properties of 3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea?
3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 324.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 111475508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).