1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

C18H19FN2O2 — CID 111435093

IUPAC1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1CO)NC1CC1c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c19-16-8-4-3-7-14(16)15-9-17(15)21-18(23)20-10-12-5-1-2-6-13(12)11-22/h1-8,15,17,22H,9-11H2,(H2,20,21,23)
InChIKeyPNDDRUYJWRXDST-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.67
Rot. Bonds5

About 1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 111435093) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
PubChem CID111435093
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1CO)NC1CC1c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c19-16-8-4-3-7-14(16)15-9-17(15)21-18(23)20-10-12-5-1-2-6-13(12)11-22/h1-8,15,17,22H,9-11H2,(H2,20,21,23)
InChIKeyPNDDRUYJWRXDST-UHFFFAOYSA-N
XLogP2.67
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[2-(2-fluorophenyl)cyclopropyl]-3-(1-hydroxypropan-2-yl)urea
CID 111104275
1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630928
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111104265
1-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924350
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea
CID 111505588
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338460
1-[2-(2-fluorophenyl)cyclopropyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea
CID 86792722
1-[2-(2-fluorophenyl)cyclopropyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111104264
1-[(2-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 131961678
2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64818051
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111556443
1-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-3-[(3S)-oxan-3-yl]urea
CID 128682857

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (CID 111435093) is 1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is O=C(NCc1ccccc1CO)NC1CC1c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is PNDDRUYJWRXDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-16-8-4-3-7-14(16)15-9-17(15)21-18(23)20-10-12-5-1-2-6-13(12)11-22/h1-8,15,17,22H,9-11H2,(H2,20,21,23).
What are the key properties of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
1-[2-(2-fluorophenyl)cyclopropyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 314.36 g/mol, XLogP of 2.67, 5 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-[[2-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 111435093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).