1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea

C18H21FN2O2 — CID 52992712

IUPAC1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea
SMILESCC(O)(CCc1ccccc1)CNC(=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN2O2/c1-18(23,12-11-14-7-3-2-4-8-14)13-20-17(22)21-16-10-6-5-9-15(16)19/h2-10,23H,11-13H2,1H3,(H2,20,21,22)
InChIKeyZNSPHCWCFQTBTK-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.33
Rot. Bonds6

About 1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea

1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea (PubChem CID 52992712) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea
PubChem CID52992712
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea
SMILESCC(O)(CCc1ccccc1)CNC(=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN2O2/c1-18(23,12-11-14-7-3-2-4-8-14)13-20-17(22)21-16-10-6-5-9-15(16)19/h2-10,23H,11-13H2,1H3,(H2,20,21,22)
InChIKeyZNSPHCWCFQTBTK-UHFFFAOYSA-N
XLogP3.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Fluorobenzyl)-3-phenylurea
CID 896691
1-(4-Fluorophenyl)-3-(4-phenylbutyl)urea
CID 24818667
1-Phenyl-3-(3-phenylpropyl)urea
CID 280361
Urea, 17b
CID 44263412
N-(4-fluorobenzyl)-N'-(4-isopropylphenyl)urea
CID 16189364
1-[2-(4-Fluoro-phenyl)-ethyl]-3-phenyl-urea
CID 808392
N-(2,4-Difluorophenyl)-N'-(4-phenylbutyl)urea
CID 24818673
1-(3-Fluorophenyl)-3-(4-phenylbutyl)urea
CID 24819619
US11033539, Cpd. No. 7-7
CID 129105449
1-Benzyl-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 4586304
1-(3,4-Dimethylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 49670589
1-(2-Hydroxyethyl)-3-[4-[[4-(2-hydroxyethylcarbamoylamino)phenyl]methyl]phenyl]urea
CID 2251785

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea (CID 52992712) is 1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea is CC(O)(CCc1ccccc1)CNC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea?
The InChIKey is ZNSPHCWCFQTBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-18(23,12-11-14-7-3-2-4-8-14)13-20-17(22)21-16-10-6-5-9-15(16)19/h2-10,23H,11-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea?
1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea has a molecular weight of 316.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea is sourced from PubChem (CID 52992712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).