3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea

C13H19FN2O3 — CID 111431069

IUPAC3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(CCO)C(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C13H19FN2O3/c1-10-3-4-11(9-12(10)14)15-13(18)16(5-7-17)6-8-19-2/h3-4,9,17H,5-8H2,1-2H3,(H,15,18)
InChIKeyIUHFLPQPPMSPOB-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.61
Rot. Bonds6

About 3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea

3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea (PubChem CID 111431069) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
PubChem CID111431069
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(CCO)C(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C13H19FN2O3/c1-10-3-4-11(9-12(10)14)15-13(18)16(5-7-17)6-8-19-2/h3-4,9,17H,5-8H2,1-2H3,(H,15,18)
InChIKeyIUHFLPQPPMSPOB-UHFFFAOYSA-N
XLogP1.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-1-(2-methoxyethyl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111473504
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745
2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271553
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431211
3-(3-bromo-4-methylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111925952
N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683583
3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 51324616
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 115902345
4-hydrazinyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113468064
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
2-[(3-fluoro-4-methylphenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263446

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea (CID 111431069) is 3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea is COCCN(CCO)C(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
The InChIKey is IUHFLPQPPMSPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-10-3-4-11(9-12(10)14)15-13(18)16(5-7-17)6-8-19-2/h3-4,9,17H,5-8H2,1-2H3,(H,15,18).
What are the key properties of 3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea has a molecular weight of 270.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 111431069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).