3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea

C11H14F2N2O3 — CID 111431465

IUPAC3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCOc1c(F)cc(NC(=O)N(C)CCO)cc1F
InChIInChI=1S/C11H14F2N2O3/c1-15(3-4-16)11(17)14-7-5-8(12)10(18-2)9(13)6-7/h5-6,16H,3-4H2,1-2H3,(H,14,17)
InChIKeyRYACXZBBNYEICV-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.43
Rot. Bonds4

About 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea

3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 111431465) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
PubChem CID111431465
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCOc1c(F)cc(NC(=O)N(C)CCO)cc1F
InChIInChI=1S/C11H14F2N2O3/c1-15(3-4-16)11(17)14-7-5-8(12)10(18-2)9(13)6-7/h5-6,16H,3-4H2,1-2H3,(H,14,17)
InChIKeyRYACXZBBNYEICV-UHFFFAOYSA-N
XLogP1.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 86837784
3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431097
3-(5-bromo-2,4-difluorophenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 99827353
1-(2-cyanoethyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 3643466
3-[4-(dimethylamino)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108894808
4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
CID 119290632
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473970
3-[(3,5-difluorophenyl)carbamoyl-methylamino]propanoic acid
CID 61189569
2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide
CID 86861767
1-(3,5-difluoro-4-methoxyphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754716
3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431448
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea
CID 99787005

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea (CID 111431465) is 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea is COc1c(F)cc(NC(=O)N(C)CCO)cc1F.
What is the InChIKey of 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is RYACXZBBNYEICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-15(3-4-16)11(17)14-7-5-8(12)10(18-2)9(13)6-7/h5-6,16H,3-4H2,1-2H3,(H,14,17).
What are the key properties of 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea?
3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 260.24 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 111431465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).