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

C19H23FN2O2 — CID 52992714

IUPAC1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea
SMILESCC(O)(CCc1ccccc1)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-19(24,12-11-15-5-3-2-4-6-15)14-22-18(23)21-13-16-7-9-17(20)10-8-16/h2-10,24H,11-14H2,1H3,(H2,21,22,23)
InChIKeyCVSGUOLZVIRMMP-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.01
Rot. Bonds7

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

1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea (PubChem CID 52992714) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea
PubChem CID52992714
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea
SMILESCC(O)(CCc1ccccc1)CNC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-19(24,12-11-15-5-3-2-4-6-15)14-22-18(23)21-13-16-7-9-17(20)10-8-16/h2-10,24H,11-14H2,1H3,(H2,21,22,23)
InChIKeyCVSGUOLZVIRMMP-UHFFFAOYSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea (CID 52992714) is 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea is CC(O)(CCc1ccccc1)CNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea?
The InChIKey is CVSGUOLZVIRMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-19(24,12-11-15-5-3-2-4-6-15)14-22-18(23)21-13-16-7-9-17(20)10-8-16/h2-10,24H,11-14H2,1H3,(H2,21,22,23).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea?
1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea has a molecular weight of 330.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea is sourced from PubChem (CID 52992714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).