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

C13H18F2N2O4 — CID 86837784

IUPAC3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
SMILESCOCC(O)CN(C)C(=O)Nc1cc(F)c(OC)c(F)c1
InChIInChI=1S/C13H18F2N2O4/c1-17(6-9(18)7-20-2)13(19)16-8-4-10(14)12(21-3)11(15)5-8/h4-5,9,18H,6-7H2,1-3H3,(H,16,19)
InChIKeyDSTZNFKVAALYBE-UHFFFAOYSA-N
MW304.29 g/mol
LogP1.44
Rot. Bonds6

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

3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea (PubChem CID 86837784) has the molecular formula C13H18F2N2O4 and a molecular weight of 304.29 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea.

Molecular Properties

Compound Name3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
PubChem CID86837784
Molecular FormulaC13H18F2N2O4
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
SMILESCOCC(O)CN(C)C(=O)Nc1cc(F)c(OC)c(F)c1
InChIInChI=1S/C13H18F2N2O4/c1-17(6-9(18)7-20-2)13(19)16-8-4-10(14)12(21-3)11(15)5-8/h4-5,9,18H,6-7H2,1-3H3,(H,16,19)
InChIKeyDSTZNFKVAALYBE-UHFFFAOYSA-N
XLogP1.44
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-3-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903939
2-fluoro-4-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]benzoic acid
CID 107796183
3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54941815
3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431465
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
3-(2,5-dichlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54979402
2-amino-N-(3,5-difluoro-4-methoxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120986908
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 86827257
3-(2-tert-butylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903895
2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide
CID 119290626
3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903869

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The IUPAC name of 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea (CID 86837784) is 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea.
What is the SMILES notation for 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The canonical SMILES for 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea is COCC(O)CN(C)C(=O)Nc1cc(F)c(OC)c(F)c1.
What is the InChIKey of 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The InChIKey is DSTZNFKVAALYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O4/c1-17(6-9(18)7-20-2)13(19)16-8-4-10(14)12(21-3)11(15)5-8/h4-5,9,18H,6-7H2,1-3H3,(H,16,19).
What are the key properties of 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea has a molecular weight of 304.29 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea is sourced from PubChem (CID 86837784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).