1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea

C18H19FN2O3 — CID 110901786

IUPAC1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccccc1Oc1cccc(F)c1)N(CCO)C1CC1
InChIInChI=1S/C18H19FN2O3/c19-13-4-3-5-15(12-13)24-17-7-2-1-6-16(17)20-18(23)21(10-11-22)14-8-9-14/h1-7,12,14,22H,8-11H2,(H,20,23)
InChIKeyDICLMCICFVWFIJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.61
Rot. Bonds6

About 1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea (PubChem CID 110901786) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea
PubChem CID110901786
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea
SMILESO=C(Nc1ccccc1Oc1cccc(F)c1)N(CCO)C1CC1
InChIInChI=1S/C18H19FN2O3/c19-13-4-3-5-15(12-13)24-17-7-2-1-6-16(17)20-18(23)21(10-11-22)14-8-9-14/h1-7,12,14,22H,8-11H2,(H,20,23)
InChIKeyDICLMCICFVWFIJ-UHFFFAOYSA-N
XLogP3.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-(3-fluorophenoxy)phenyl]acetamide;hydrochloride
CID 119745784
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 60509869
1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
CID 111508451
1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
N-[2-(3-fluorophenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119745790
N-[2-(3-fluorophenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60557145
1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea
CID 112838266
3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110890631
N-[2-[2-(3-fluorophenoxy)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 55980707
1-(1,1-dioxothiolan-3-yl)-3-(3-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 75391286
1-cyclopropyl-1-(2-hydroxyethyl)-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 110903994
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(3-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 97246115

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea (CID 110901786) is 1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea is O=C(Nc1ccccc1Oc1cccc(F)c1)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea?
The InChIKey is DICLMCICFVWFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-13-4-3-5-15(12-13)24-17-7-2-1-6-16(17)20-18(23)21(10-11-22)14-8-9-14/h1-7,12,14,22H,8-11H2,(H,20,23).
What are the key properties of 1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea has a molecular weight of 330.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(3-fluorophenoxy)phenyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110901786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).