3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea

C11H15FN2O2 — CID 62334084

IUPAC3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
SMILESCC(O)CN(C)C(=O)Nc1ccccc1F
InChIInChI=1S/C11H15FN2O2/c1-8(15)7-14(2)11(16)13-10-6-4-3-5-9(10)12/h3-6,8,15H,7H2,1-2H3,(H,13,16)
InChIKeyXQHXJEQOKUENPS-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.67
Rot. Bonds3

About 3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea

3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea (PubChem CID 62334084) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
PubChem CID62334084
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
SMILESCC(O)CN(C)C(=O)Nc1ccccc1F
InChIInChI=1S/C11H15FN2O2/c1-8(15)7-14(2)11(16)13-10-6-4-3-5-9(10)12/h3-6,8,15H,7H2,1-2H3,(H,13,16)
InChIKeyXQHXJEQOKUENPS-UHFFFAOYSA-N
XLogP1.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 27209701
1-(2-amino-2-hydroxyiminoethyl)-3-(2-fluorophenyl)-1-methylurea
CID 76929064
1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea
CID 79652509
2-chloro-6-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 63722971
1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 24664813
3-(2-fluorophenyl)-1-phenyl-1-propan-2-ylurea
CID 2242088
3-(2-fluorophenyl)-1-methyl-1-(3-phenoxypropyl)urea
CID 86980273
2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 110601209
1-[(4-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 47278857
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
3-(2-fluorophenyl)-1-methyl-1-(1-thiophen-2-ylethyl)urea
CID 42930015

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea?
The IUPAC name of 3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea (CID 62334084) is 3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea?
The canonical SMILES for 3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea is CC(O)CN(C)C(=O)Nc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea?
The InChIKey is XQHXJEQOKUENPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-8(15)7-14(2)11(16)13-10-6-4-3-5-9(10)12/h3-6,8,15H,7H2,1-2H3,(H,13,16).
What are the key properties of 3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea?
3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea has a molecular weight of 226.25 g/mol, XLogP of 1.67, 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-hydroxypropyl)-1-methylurea is sourced from PubChem (CID 62334084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).