1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea

C19H16F2N2O2 — CID 111111298

IUPAC1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
SMILESO=C(NCC(O)c1ccc2ccccc2c1)Nc1c(F)cccc1F
InChIInChI=1S/C19H16F2N2O2/c20-15-6-3-7-16(21)18(15)23-19(25)22-11-17(24)14-9-8-12-4-1-2-5-13(12)10-14/h1-10,17,24H,11H2,(H2,22,23,25)
InChIKeyBDGATOMUDLWEJU-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.97
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea

1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea (PubChem CID 111111298) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
PubChem CID111111298
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
SMILESO=C(NCC(O)c1ccc2ccccc2c1)Nc1c(F)cccc1F
InChIInChI=1S/C19H16F2N2O2/c20-15-6-3-7-16(21)18(15)23-19(25)22-11-17(24)14-9-8-12-4-1-2-5-13(12)10-14/h1-10,17,24H,11H2,(H2,22,23,25)
InChIKeyBDGATOMUDLWEJU-UHFFFAOYSA-N
XLogP3.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890491
1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 95368355
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 90500402
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 111111377
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 95189244
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111338
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(1-propylpyrazol-4-yl)urea
CID 111475603
1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 71781655
1-(benzimidazol-1-yl)-3-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]urea
CID 95188947
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea
CID 95190317
N-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide
CID 111434804

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea (CID 111111298) is 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea is O=C(NCC(O)c1ccc2ccccc2c1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
The InChIKey is BDGATOMUDLWEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c20-15-6-3-7-16(21)18(15)23-19(25)22-11-17(24)14-9-8-12-4-1-2-5-13(12)10-14/h1-10,17,24H,11H2,(H2,22,23,25).
What are the key properties of 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea has a molecular weight of 342.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea is sourced from PubChem (CID 111111298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).