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

C19H15ClFN3O2 — CID 1450128

IUPAC1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccn(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C19H15ClFN3O2/c20-15-8-4-9-16(21)14(15)12-24-11-5-10-17(18(24)25)23-19(26)22-13-6-2-1-3-7-13/h1-11H,12H2,(H2,22,23,26)
InChIKeyGFEGBLFACQQOER-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.33
Rot. Bonds4

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

1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea (PubChem CID 1450128) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea
PubChem CID1450128
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccn(Cc2c(F)cccc2Cl)c1=O
InChIInChI=1S/C19H15ClFN3O2/c20-15-8-4-9-16(21)14(15)12-24-11-5-10-17(18(24)25)23-19(26)22-13-6-2-1-3-7-13/h1-11H,12H2,(H2,22,23,26)
InChIKeyGFEGBLFACQQOER-UHFFFAOYSA-N
XLogP4.33
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea (CID 1450128) is 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cccn(Cc2c(F)cccc2Cl)c1=O.
What is the InChIKey of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea?
The InChIKey is GFEGBLFACQQOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c20-15-8-4-9-16(21)14(15)12-24-11-5-10-17(18(24)25)23-19(26)22-13-6-2-1-3-7-13/h1-11H,12H2,(H2,22,23,26).
What are the key properties of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea?
1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea has a molecular weight of 371.80 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-phenylurea is sourced from PubChem (CID 1450128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).