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

C23H23FN2O2 — CID 71781866

IUPAC1-[(4-fluorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
SMILESCC(O)(CNC(=O)NCc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23FN2O2/c1-23(28,16-26-22(27)25-15-17-7-13-21(24)14-8-17)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14,28H,15-16H2,1H3,(H2,25,26,27)
InChIKeyIWCMUBJBTHWLAB-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.20
Rot. Bonds6

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

1-[(4-fluorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea (PubChem CID 71781866) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
PubChem CID71781866
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
SMILESCC(O)(CNC(=O)NCc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23FN2O2/c1-23(28,16-26-22(27)25-15-17-7-13-21(24)14-8-17)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14,28H,15-16H2,1H3,(H2,25,26,27)
InChIKeyIWCMUBJBTHWLAB-UHFFFAOYSA-N
XLogP4.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.20
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-(4-phenylphenyl)propyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea (CID 71781866) is 1-[(4-fluorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea is CC(O)(CNC(=O)NCc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
The InChIKey is IWCMUBJBTHWLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-23(28,16-26-22(27)25-15-17-7-13-21(24)14-8-17)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14,28H,15-16H2,1H3,(H2,25,26,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea?
1-[(4-fluorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea has a molecular weight of 378.45 g/mol, XLogP of 4.20, 6 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-(4-phenylphenyl)propyl]urea is sourced from PubChem (CID 71781866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).