1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea

C21H20FN3O2 — CID 1450070

IUPAC1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCCc1ccccc1NC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H20FN3O2/c1-2-16-6-3-4-7-18(16)23-21(27)24-19-8-5-13-25(20(19)26)14-15-9-11-17(22)12-10-15/h3-13H,2,14H2,1H3,(H2,23,24,27)
InChIKeyMZFNDGGCMIHDAR-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.24
Rot. Bonds5

About 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea

1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea (PubChem CID 1450070) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea
PubChem CID1450070
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCCc1ccccc1NC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H20FN3O2/c1-2-16-6-3-4-7-18(16)23-21(27)24-19-8-5-13-25(20(19)26)14-15-9-11-17(22)12-10-15/h3-13H,2,14H2,1H3,(H2,23,24,27)
InChIKeyMZFNDGGCMIHDAR-UHFFFAOYSA-N
XLogP4.24
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea (CID 1450070) is 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea is CCc1ccccc1NC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The InChIKey is MZFNDGGCMIHDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-2-16-6-3-4-7-18(16)23-21(27)24-19-8-5-13-25(20(19)26)14-15-9-11-17(22)12-10-15/h3-13H,2,14H2,1H3,(H2,23,24,27).
What are the key properties of 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea has a molecular weight of 365.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea is sourced from PubChem (CID 1450070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).