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

C19H23FN2O2 — CID 52907005

IUPAC1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea
SMILESC[C@](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)/t19-/m0/s1
InChIKeyCVSGUOLZVIRMMP-IBGZPJMESA-N
MW330.40 g/mol
LogP3.01
Rot. Bonds7

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

1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea (PubChem CID 52907005) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea
PubChem CID52907005
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea
SMILESC[C@](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)/t19-/m0/s1
InChIKeyCVSGUOLZVIRMMP-IBGZPJMESA-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-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea (CID 52907005) is 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea is C[C@](O)(CCc1ccccc1)CNC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea?
The InChIKey is CVSGUOLZVIRMMP-IBGZPJMESA-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)/t19-/m0/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea?
1-[(4-fluorophenyl)methyl]-3-[(2S)-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-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea is sourced from PubChem (CID 52907005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).