3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea

C11H15FN2O2 — CID 111431097

IUPAC3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCc1ccc(NC(=O)N(C)CCO)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-8-3-4-10(9(12)7-8)13-11(16)14(2)5-6-15/h3-4,7,15H,5-6H2,1-2H3,(H,13,16)
InChIKeyJSAUQLLZSBQYHW-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.59
Rot. Bonds3

About 3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea

3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 111431097) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
PubChem CID111431097
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCc1ccc(NC(=O)N(C)CCO)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-8-3-4-10(9(12)7-8)13-11(16)14(2)5-6-15/h3-4,7,15H,5-6H2,1-2H3,(H,13,16)
InChIKeyJSAUQLLZSBQYHW-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2,4-difluorophenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 99827353
3-[(2-fluoro-5-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61195941
1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 111431455
3-[tert-butyl-[(2-fluoro-4-methylphenyl)carbamoyl]amino]propanoic acid
CID 61200310
4-[(2-fluoro-5-methylphenyl)carbamoyl-methylamino]butanoic acid
CID 43329846
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea
CID 78917161
1-(2-hydroxyethyl)-1-methyl-3-[2-(4-methylphenoxy)phenyl]urea
CID 111105100
3-[(2,5-dimethylphenyl)carbamoyl-methylamino]propanoic acid
CID 61200119
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431587
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea (CID 111431097) is 3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea is Cc1ccc(NC(=O)N(C)CCO)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is JSAUQLLZSBQYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-8-3-4-10(9(12)7-8)13-11(16)14(2)5-6-15/h3-4,7,15H,5-6H2,1-2H3,(H,13,16).
What are the key properties of 3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea?
3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 226.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 111431097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).