1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea

C14H15F2N3O2 — CID 71781655

IUPAC1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
SMILESCn1cccc1C(O)CNC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C14H15F2N3O2/c1-19-7-3-6-11(19)12(20)8-17-14(21)18-13-9(15)4-2-5-10(13)16/h2-7,12,20H,8H2,1H3,(H2,17,18,21)
InChIKeyGJHDAHDRYBAVPI-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.16
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea

1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea (PubChem CID 71781655) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
PubChem CID71781655
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
SMILESCn1cccc1C(O)CNC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C14H15F2N3O2/c1-19-7-3-6-11(19)12(20)8-17-14(21)18-13-9(15)4-2-5-10(13)16/h2-7,12,20H,8H2,1H3,(H2,17,18,21)
InChIKeyGJHDAHDRYBAVPI-UHFFFAOYSA-N
XLogP2.16
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea
CID 90496420
1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890491
1-(3,4-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 95982618
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 90500402
1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 95368355
1-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 95783033
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111298
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
CID 90496187
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide
CID 90496364
methyl 4-[[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]carbamoyl]benzoate
CID 95982482
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
CID 95982442
N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496385

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea (CID 71781655) is 1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea is Cn1cccc1C(O)CNC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea?
The InChIKey is GJHDAHDRYBAVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-19-7-3-6-11(19)12(20)8-17-14(21)18-13-9(15)4-2-5-10(13)16/h2-7,12,20H,8H2,1H3,(H2,17,18,21).
What are the key properties of 1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea?
1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea has a molecular weight of 295.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea is sourced from PubChem (CID 71781655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).