1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea

C20H17ClFN3O2 — CID 1450131

IUPAC1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESO=C(NCc1ccccc1)Nc1cccn(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C20H17ClFN3O2/c21-16-8-4-9-17(22)15(16)13-25-11-5-10-18(19(25)26)24-20(27)23-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,23,24,27)
InChIKeyVCHQEEWIDVWHMW-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.01
Rot. Bonds5

About 1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea

1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea (PubChem CID 1450131) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea
PubChem CID1450131
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESO=C(NCc1ccccc1)Nc1cccn(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C20H17ClFN3O2/c21-16-8-4-9-17(22)15(16)13-25-11-5-10-18(19(25)26)24-20(27)23-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,23,24,27)
InChIKeyVCHQEEWIDVWHMW-UHFFFAOYSA-N
XLogP4.01
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The IUPAC name of 1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea (CID 1450131) is 1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The canonical SMILES for 1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea is O=C(NCc1ccccc1)Nc1cccn(Cc2c(F)cccc2Cl)c1=O.
What is the InChIKey of 1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The InChIKey is VCHQEEWIDVWHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-16-8-4-9-17(22)15(16)13-25-11-5-10-18(19(25)26)24-20(27)23-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,23,24,27).
What are the key properties of 1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
1-benzyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea has a molecular weight of 385.83 g/mol, XLogP of 4.01, 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-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea is sourced from PubChem (CID 1450131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).