1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea

C21H20FN3O2 — CID 3231713

IUPAC1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea
SMILESCc1cc(NC(=O)NCc2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1
InChIInChI=1S/C21H20FN3O2/c1-15-11-19(24-21(27)23-12-16-5-3-2-4-6-16)20(26)25(13-15)14-17-7-9-18(22)10-8-17/h2-11,13H,12,14H2,1H3,(H2,23,24,27)
InChIKeyLQSAJWOWCPMLDA-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.67
Rot. Bonds5

About 1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea

1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea (PubChem CID 3231713) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea
PubChem CID3231713
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea
SMILESCc1cc(NC(=O)NCc2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1
InChIInChI=1S/C21H20FN3O2/c1-15-11-19(24-21(27)23-12-16-5-3-2-4-6-16)20(26)25(13-15)14-17-7-9-18(22)10-8-17/h2-11,13H,12,14H2,1H3,(H2,23,24,27)
InChIKeyLQSAJWOWCPMLDA-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-2-methoxyacetamide
CID 6488633
1-[1-[(3-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea
CID 3231748
1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 60577099
N-(1-benzyl-5-methyl-2-oxo-3-pyridinyl)thiophene-2-carboxamide
CID 3231706
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-fluorophenyl)methyl]urea
CID 22430467
N-[1-[(4-chlorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-2-methoxybenzamide
CID 3231731
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
1-(2,5-dimethylphenyl)-3-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951130
1-[1-[(2-bromophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 3231735
1-(5-methyl-1,2-oxazol-3-yl)-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 47071678

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea?
The IUPAC name of 1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea (CID 3231713) is 1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea?
The canonical SMILES for 1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea is Cc1cc(NC(=O)NCc2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea?
The InChIKey is LQSAJWOWCPMLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-15-11-19(24-21(27)23-12-16-5-3-2-4-6-16)20(26)25(13-15)14-17-7-9-18(22)10-8-17/h2-11,13H,12,14H2,1H3,(H2,23,24,27).
What are the key properties of 1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea?
1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea has a molecular weight of 365.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-[(4-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea is sourced from PubChem (CID 3231713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).