1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea

C13H17FN2O2 — CID 111104275

IUPAC1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NC1CC1c1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-8(7-17)15-13(18)16-12-6-10(12)9-4-2-3-5-11(9)14/h2-5,8,10,12,17H,6-7H2,1H3,(H2,15,16,18)
InChIKeyRGINERILOYCQNC-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.36
Rot. Bonds4

About 1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea

1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 111104275) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID111104275
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NC1CC1c1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-8(7-17)15-13(18)16-12-6-10(12)9-4-2-3-5-11(9)14/h2-5,8,10,12,17H,6-7H2,1H3,(H2,15,16,18)
InChIKeyRGINERILOYCQNC-UHFFFAOYSA-N
XLogP1.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 96527477
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111104265
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338460
1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea
CID 97054888
1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630928
1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111435093
1-[2-(2-fluorophenyl)cyclopropyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111104264
1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea
CID 128682857
1-[2-(2-methylphenyl)cyclopropyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 84585038
2-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 78831616
1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
CID 47764323
1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95309946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea (CID 111104275) is 1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)NC1CC1c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is RGINERILOYCQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8(7-17)15-13(18)16-12-6-10(12)9-4-2-3-5-11(9)14/h2-5,8,10,12,17H,6-7H2,1H3,(H2,15,16,18).
What are the key properties of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea?
1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 252.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 111104275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).