1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea

C19H18FN3O2 — CID 111422811

IUPAC1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(Nc1cc(-n2cccc2)ccc1F)NC(CO)c1ccccc1
InChIInChI=1S/C19H18FN3O2/c20-16-9-8-15(23-10-4-5-11-23)12-17(16)21-19(25)22-18(13-24)14-6-2-1-3-7-14/h1-12,18,24H,13H2,(H2,21,22,25)
InChIKeyXLJZWLZOUFWYBB-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.47
Rot. Bonds5

About 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea

1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 111422811) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID111422811
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(Nc1cc(-n2cccc2)ccc1F)NC(CO)c1ccccc1
InChIInChI=1S/C19H18FN3O2/c20-16-9-8-15(23-10-4-5-11-23)12-17(16)21-19(25)22-18(13-24)14-6-2-1-3-7-14/h1-12,18,24H,13H2,(H2,21,22,25)
InChIKeyXLJZWLZOUFWYBB-UHFFFAOYSA-N
XLogP3.47
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 56556711
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111521359
3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010393
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-methoxyurea
CID 75420852
1-(2-ethylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895839
(2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 96514873
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111475376
1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895833
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895751

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea (CID 111422811) is 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea is O=C(Nc1cc(-n2cccc2)ccc1F)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is XLJZWLZOUFWYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-16-9-8-15(23-10-4-5-11-23)12-17(16)21-19(25)22-18(13-24)14-6-2-1-3-7-14/h1-12,18,24H,13H2,(H2,21,22,25).
What are the key properties of 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea?
1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 339.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-pyrrol-1-ylphenyl)-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 111422811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).