3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea

C14H19FN2O — CID 47128259

IUPAC3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccc(F)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C14H19FN2O/c1-17(10-11-6-8-12(15)9-7-11)14(18)16-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,16,18)
InChIKeyRMPAHRBRFMCZDF-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.91
Rot. Bonds3

About 3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea

3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea (PubChem CID 47128259) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea
PubChem CID47128259
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1ccc(F)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C14H19FN2O/c1-17(10-11-6-8-12(15)9-7-11)14(18)16-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,16,18)
InChIKeyRMPAHRBRFMCZDF-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-Cyclohexyl-3-(2-phenylethyl)urea
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1-benzyl-2,3-dihydro-1H-imidazol-2-one
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1-Benzylimidazolidin-2-one
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N-benzyl-4-cyclopentylpiperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea?
The IUPAC name of 3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea (CID 47128259) is 3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea?
The canonical SMILES for 3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea is CN(Cc1ccc(F)cc1)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea?
The InChIKey is RMPAHRBRFMCZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-17(10-11-6-8-12(15)9-7-11)14(18)16-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,16,18).
What are the key properties of 3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea?
3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea has a molecular weight of 250.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 47128259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).