1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea

C17H25FN2O3 — CID 111475511

IUPAC1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1
InChIInChI=1S/C17H25FN2O3/c1-2-12(9-10-21)19-17(22)20-13-7-8-16(15(18)11-13)23-14-5-3-4-6-14/h7-8,11-12,14,21H,2-6,9-10H2,1H3,(H2,19,20,22)
InChIKeyFQFFCURXZSEYQC-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.43
Rot. Bonds7

About 1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea

1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111475511) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea
PubChem CID111475511
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1
InChIInChI=1S/C17H25FN2O3/c1-2-12(9-10-21)19-17(22)20-13-7-8-16(15(18)11-13)23-14-5-3-4-6-14/h7-8,11-12,14,21H,2-6,9-10H2,1H3,(H2,19,20,22)
InChIKeyFQFFCURXZSEYQC-UHFFFAOYSA-N
XLogP3.43
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111475508
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111750960
3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide
CID 120501730
1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea
CID 97341856
(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 122145730
1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452995
7-amino-N-(4-cyclopentyloxy-3-fluorophenyl)heptanamide
CID 119806500
2-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methylpentanamide
CID 119811156
1-(4-cyclobutyloxy-3-fluorophenyl)-3-[1-(2,2-difluoroethyl)pyrazol-3-yl]urea
CID 75524717
dimethyl (E)-2-(4-cyclopentyloxy-3-fluoroanilino)but-2-enedioate
CID 168568895
4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086184

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea (CID 111475511) is 1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea is CCC(CCO)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1.
What is the InChIKey of 1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is FQFFCURXZSEYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-2-12(9-10-21)19-17(22)20-13-7-8-16(15(18)11-13)23-14-5-3-4-6-14/h7-8,11-12,14,21H,2-6,9-10H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea?
1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 324.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111475511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).