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

C20H18FN3O3 — CID 52948962

IUPAC1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccn(Cc3cccc(F)c3)c2=O)c1
InChIInChI=1S/C20H18FN3O3/c1-27-17-8-3-7-16(12-17)22-20(26)23-18-9-4-10-24(19(18)25)13-14-5-2-6-15(21)11-14/h2-12H,13H2,1H3,(H2,22,23,26)
InChIKeyVMFUHDOHRAQNQY-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.69
Rot. Bonds5

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

1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea (PubChem CID 52948962) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea
PubChem CID52948962
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccn(Cc3cccc(F)c3)c2=O)c1
InChIInChI=1S/C20H18FN3O3/c1-27-17-8-3-7-16(12-17)22-20(26)23-18-9-4-10-24(19(18)25)13-14-5-2-6-15(21)11-14/h2-12H,13H2,1H3,(H2,22,23,26)
InChIKeyVMFUHDOHRAQNQY-UHFFFAOYSA-N
XLogP3.69
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea (CID 52948962) is 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cccn(Cc3cccc(F)c3)c2=O)c1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea?
The InChIKey is VMFUHDOHRAQNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-27-17-8-3-7-16(12-17)22-20(26)23-18-9-4-10-24(19(18)25)13-14-5-2-6-15(21)11-14/h2-12H,13H2,1H3,(H2,22,23,26).
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea?
1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea has a molecular weight of 367.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 52948962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).