1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea

C19H22FN3O2 — CID 1450067

IUPAC1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESO=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)NC1CCCCC1
InChIInChI=1S/C19H22FN3O2/c20-15-10-8-14(9-11-15)13-23-12-4-7-17(18(23)24)22-19(25)21-16-5-2-1-3-6-16/h4,7-12,16H,1-3,5-6,13H2,(H2,21,22,25)
InChIKeyBENWIZDCCMMRHJ-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.49
Rot. Bonds4

About 1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea

1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea (PubChem CID 1450067) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea
PubChem CID1450067
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESO=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)NC1CCCCC1
InChIInChI=1S/C19H22FN3O2/c20-15-10-8-14(9-11-15)13-23-12-4-7-17(18(23)24)22-19(25)21-16-5-2-1-3-6-16/h4,7-12,16H,1-3,5-6,13H2,(H2,21,22,25)
InChIKeyBENWIZDCCMMRHJ-UHFFFAOYSA-N
XLogP3.49
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea (CID 1450067) is 1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea is O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The InChIKey is BENWIZDCCMMRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-15-10-8-14(9-11-15)13-23-12-4-7-17(18(23)24)22-19(25)21-16-5-2-1-3-6-16/h4,7-12,16H,1-3,5-6,13H2,(H2,21,22,25).
What are the key properties of 1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea has a molecular weight of 343.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]urea is sourced from PubChem (CID 1450067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).