3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

C14H19FN2O2 — CID 109395391

IUPAC3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-17(9-10-5-4-8-13(10)18)14(19)16-12-7-3-2-6-11(12)15/h2-3,6-7,10,13,18H,4-5,8-9H2,1H3,(H,16,19)
InChIKeyROMOPRVMAHEJLS-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.45
Rot. Bonds3

About 3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (PubChem CID 109395391) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
PubChem CID109395391
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)Nc1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-17(9-10-5-4-8-13(10)18)14(19)16-12-7-3-2-6-11(12)15/h2-3,6-7,10,13,18H,4-5,8-9H2,1H3,(H,16,19)
InChIKeyROMOPRVMAHEJLS-UHFFFAOYSA-N
XLogP2.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397117
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide
CID 109399018
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-(1-methyl-2,3-dihydroindol-4-yl)urea
CID 98852990
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396961
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017230
3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397107
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607
1-[(2-hydroxycyclopentyl)methyl]-3-(4-methoxy-2-methylphenyl)-1-methylurea
CID 109397032
N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399026
3-[1-(2,3-difluorophenyl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 86784726
(E)-3-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide
CID 109399846

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The IUPAC name of 3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (CID 109395391) is 3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The canonical SMILES for 3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is CN(CC1CCCC1O)C(=O)Nc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The InChIKey is ROMOPRVMAHEJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(9-10-5-4-8-13(10)18)14(19)16-12-7-3-2-6-11(12)15/h2-3,6-7,10,13,18H,4-5,8-9H2,1H3,(H,16,19).
What are the key properties of 3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea has a molecular weight of 266.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is sourced from PubChem (CID 109395391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).