3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

C15H20F2N2O2 — CID 109398607

IUPAC3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C15H20F2N2O2/c1-19(9-10-3-2-4-14(10)20)15(21)18-8-11-7-12(16)5-6-13(11)17/h5-7,10,14,20H,2-4,8-9H2,1H3,(H,18,21)
InChIKeyDXKRBTUSCRHCIK-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.27
Rot. Bonds4

About 3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (PubChem CID 109398607) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
PubChem CID109398607
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C15H20F2N2O2/c1-19(9-10-3-2-4-14(10)20)15(21)18-8-11-7-12(16)5-6-13(11)17/h5-7,10,14,20H,2-4,8-9H2,1H3,(H,18,21)
InChIKeyDXKRBTUSCRHCIK-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012598
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(4-methyl-2-propan-2-yloxyphenyl)methyl]urea
CID 109398837
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea
CID 75432520
3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672
3-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398867
3-[(3-cyanophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397574
N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109397881
3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397875
3-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012767
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 97326930
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 109398502

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (CID 109398607) is 3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is CN(CC1CCCC1O)C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The InChIKey is DXKRBTUSCRHCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-19(9-10-3-2-4-14(10)20)15(21)18-8-11-7-12(16)5-6-13(11)17/h5-7,10,14,20H,2-4,8-9H2,1H3,(H,18,21).
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea has a molecular weight of 298.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is sourced from PubChem (CID 109398607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).