3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea

C12H16ClFN2O3 — CID 110903939

IUPAC3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
SMILESCOCC(O)CN(C)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2O3/c1-16(6-9(17)7-19-2)12(18)15-8-3-4-10(13)11(14)5-8/h3-5,9,17H,6-7H2,1-2H3,(H,15,18)
InChIKeyCORHTATYNZDTAV-UHFFFAOYSA-N
MW290.72 g/mol
LogP1.95
Rot. Bonds5

About 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea

3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea (PubChem CID 110903939) has the molecular formula C12H16ClFN2O3 and a molecular weight of 290.72 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
PubChem CID110903939
Molecular FormulaC12H16ClFN2O3
Molecular Weight290.72 g/mol
Exact Mass290.08
IUPAC Name3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
SMILESCOCC(O)CN(C)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2O3/c1-16(6-9(17)7-19-2)12(18)15-8-3-4-10(13)11(14)5-8/h3-5,9,17H,6-7H2,1-2H3,(H,15,18)
InChIKeyCORHTATYNZDTAV-UHFFFAOYSA-N
XLogP1.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-hydroxy-3-methoxypropyl)-1-methylurea
CID 54941815
2-fluoro-4-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]benzoic acid
CID 107796183
3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 86837784
3-(2,5-dichlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54979402
3-(4-chloro-3-fluorophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859145
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86837352
3-(4-bromo-2-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903881
N-(4-chloro-3-fluorophenyl)-2-methoxyacetamide
CID 60776246
3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47278262
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,2-dimethoxyethyl)-1-methylurea
CID 122543000
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea (CID 110903939) is 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea is COCC(O)CN(C)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The InChIKey is CORHTATYNZDTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O3/c1-16(6-9(17)7-19-2)12(18)15-8-3-4-10(13)11(14)5-8/h3-5,9,17H,6-7H2,1-2H3,(H,15,18).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea has a molecular weight of 290.72 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea is sourced from PubChem (CID 110903939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).