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

C19H21ClFN3O2 — CID 1450126

IUPAC1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea
SMILESO=C(Nc1cccn(Cc2c(F)cccc2Cl)c1=O)NC1CCCCC1
InChIInChI=1S/C19H21ClFN3O2/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/h4-5,8-11,13H,1-3,6-7,12H2,(H2,22,23,26)
InChIKeyYGNAEKDMWGIHFJ-UHFFFAOYSA-N
MW377.85 g/mol
LogP4.14
Rot. Bonds4

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

1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea (PubChem CID 1450126) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea
PubChem CID1450126
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea
SMILESO=C(Nc1cccn(Cc2c(F)cccc2Cl)c1=O)NC1CCCCC1
InChIInChI=1S/C19H21ClFN3O2/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/h4-5,8-11,13H,1-3,6-7,12H2,(H2,22,23,26)
InChIKeyYGNAEKDMWGIHFJ-UHFFFAOYSA-N
XLogP4.14
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.14
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-cyclohexylurea?
The IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea (CID 1450126) is 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea?
The canonical SMILES for 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea is O=C(Nc1cccn(Cc2c(F)cccc2Cl)c1=O)NC1CCCCC1.
What is the InChIKey of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea?
The InChIKey is YGNAEKDMWGIHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/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/h4-5,8-11,13H,1-3,6-7,12H2,(H2,22,23,26).
What are the key properties of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea?
1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea has a molecular weight of 377.85 g/mol, XLogP of 4.14, 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-cyclohexylurea is sourced from PubChem (CID 1450126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).