1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea

C20H17ClFN3O2 — CID 1450129

IUPAC1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)cc1
InChIInChI=1S/C20H17ClFN3O2/c1-13-7-9-14(10-8-13)23-20(27)24-18-6-3-11-25(19(18)26)12-15-16(21)4-2-5-17(15)22/h2-11H,12H2,1H3,(H2,23,24,27)
InChIKeyOUUGYDAYKLRSFO-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.64
Rot. Bonds4

About 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea

1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea (PubChem CID 1450129) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea
PubChem CID1450129
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)cc1
InChIInChI=1S/C20H17ClFN3O2/c1-13-7-9-14(10-8-13)23-20(27)24-18-6-3-11-25(19(18)26)12-15-16(21)4-2-5-17(15)22/h2-11H,12H2,1H3,(H2,23,24,27)
InChIKeyOUUGYDAYKLRSFO-UHFFFAOYSA-N
XLogP4.64
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.64
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-(4-methylphenyl)urea?
The IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea (CID 1450129) is 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)cc1.
What is the InChIKey of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea?
The InChIKey is OUUGYDAYKLRSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-13-7-9-14(10-8-13)23-20(27)24-18-6-3-11-25(19(18)26)12-15-16(21)4-2-5-17(15)22/h2-11H,12H2,1H3,(H2,23,24,27).
What are the key properties of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea?
1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea has a molecular weight of 385.83 g/mol, XLogP of 4.64, 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-(4-methylphenyl)urea is sourced from PubChem (CID 1450129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).