3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea

C12H16ClFN2O3 — CID 111431211

IUPAC3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(CCO)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFN2O3/c1-19-7-5-16(4-6-17)12(18)15-11-8-9(13)2-3-10(11)14/h2-3,8,17H,4-7H2,1H3,(H,15,18)
InChIKeyBABYUMCDQRYCRM-UHFFFAOYSA-N
MW290.72 g/mol
LogP1.95
Rot. Bonds6

About 3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea

3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea (PubChem CID 111431211) has the molecular formula C12H16ClFN2O3 and a molecular weight of 290.72 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
PubChem CID111431211
Molecular FormulaC12H16ClFN2O3
Molecular Weight290.72 g/mol
Exact Mass290.08
IUPAC Name3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(CCO)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFN2O3/c1-19-7-5-16(4-6-17)12(18)15-11-8-9(13)2-3-10(11)14/h2-3,8,17H,4-7H2,1H3,(H,15,18)
InChIKeyBABYUMCDQRYCRM-UHFFFAOYSA-N
XLogP1.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61447781
3-(3-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431069
3-(2-fluoro-5-methylphenyl)-1-(2-hydroxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 111578872
5-chloro-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 113468065
3-(2,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120402
3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111117091
2-[(5-chloro-2-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272026
3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324738
3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea
CID 112684763
3-(5-bromo-2-fluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120739

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea (CID 111431211) is 3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea is COCCN(CCO)C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
The InChIKey is BABYUMCDQRYCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O3/c1-19-7-5-16(4-6-17)12(18)15-11-8-9(13)2-3-10(11)14/h2-3,8,17H,4-7H2,1H3,(H,15,18).
What are the key properties of 3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea?
3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea has a molecular weight of 290.72 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 111431211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).