1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea

C17H25FN2O2 — CID 71921523

IUPAC1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea
SMILESCC(CCCO)NC(=O)NC1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-12(4-3-11-21)19-17(22)20-16-6-2-5-15(16)13-7-9-14(18)10-8-13/h7-10,12,15-16,21H,2-6,11H2,1H3,(H2,19,20,22)
InChIKeyDFEKLWLOUWHYBK-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.92
Rot. Bonds6

About 1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea

1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea (PubChem CID 71921523) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea
PubChem CID71921523
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea
SMILESCC(CCCO)NC(=O)NC1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-12(4-3-11-21)19-17(22)20-16-6-2-5-15(16)13-7-9-14(18)10-8-13/h7-10,12,15-16,21H,2-6,11H2,1H3,(H2,19,20,22)
InChIKeyDFEKLWLOUWHYBK-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea (CID 71921523) is 1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea is CC(CCCO)NC(=O)NC1CCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea?
The InChIKey is DFEKLWLOUWHYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12(4-3-11-21)19-17(22)20-16-6-2-5-15(16)13-7-9-14(18)10-8-13/h7-10,12,15-16,21H,2-6,11H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea?
1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea has a molecular weight of 308.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)cyclopentyl]-3-(5-hydroxypentan-2-yl)urea is sourced from PubChem (CID 71921523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).