1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea

C18H21FN2O3 — CID 84586728

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)NCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H21FN2O3/c1-21(11-16(22)12-6-7-12)18(23)20-10-13-8-9-17(24-13)14-4-2-3-5-15(14)19/h2-5,8-9,12,16,22H,6-7,10-11H2,1H3,(H,20,23)
InChIKeyNESYOYIPJAROSY-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.00
Rot. Bonds6

About 1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea

1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea (PubChem CID 84586728) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea
PubChem CID84586728
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)NCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H21FN2O3/c1-21(11-16(22)12-6-7-12)18(23)20-10-13-8-9-17(24-13)14-4-2-3-5-15(14)19/h2-5,8-9,12,16,22H,6-7,10-11H2,1H3,(H,20,23)
InChIKeyNESYOYIPJAROSY-UHFFFAOYSA-N
XLogP3.00
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea with MolForge

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Related Compounds

(4R)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97080837
3-[(2-cyclobutyloxyphenyl)methyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea
CID 97223766
1-[5-(2-fluorophenyl)furan-2-yl]propan-2-ol
CID 63085835
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea
CID 110013047
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(N-methylanilino)piperidin-1-yl]propan-1-one
CID 56796258
N-(2-amino-1-cyclopropylethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119614985
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
CID 4723489
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2R)-2-methyl-3-piperidin-1-ylpropyl]urea
CID 52506587
1-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-[(2S)-2-methyl-3-piperidin-1-ylpropyl]urea
CID 52506585
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea
CID 97061097
(2S)-2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-2-phenylacetamide
CID 95042639

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea (CID 84586728) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea is CN(CC(O)C1CC1)C(=O)NCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea?
The InChIKey is NESYOYIPJAROSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-21(11-16(22)12-6-7-12)18(23)20-10-13-8-9-17(24-13)14-4-2-3-5-15(14)19/h2-5,8-9,12,16,22H,6-7,10-11H2,1H3,(H,20,23).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea has a molecular weight of 332.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-3-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methylurea is sourced from PubChem (CID 84586728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).