1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea

C15H16FN3O — CID 108900165

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCCc2ccccc2F)nc1
InChIInChI=1S/C15H16FN3O/c1-11-6-7-14(18-10-11)19-15(20)17-9-8-12-4-2-3-5-13(12)16/h2-7,10H,8-9H2,1H3,(H2,17,18,19,20)
InChIKeyWBZQONAFFROIBW-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.89
Rot. Bonds4

About 1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea

1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea (PubChem CID 108900165) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
PubChem CID108900165
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCCc2ccccc2F)nc1
InChIInChI=1S/C15H16FN3O/c1-11-6-7-14(18-10-11)19-15(20)17-9-8-12-4-2-3-5-13(12)16/h2-7,10H,8-9H2,1H3,(H2,17,18,19,20)
InChIKeyWBZQONAFFROIBW-UHFFFAOYSA-N
XLogP2.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900168
3-[[ethylamino-[2-(2-fluorophenyl)ethylamino]methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111362681
1-[2-(2-fluorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108900164
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900857
1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108900009
3-[[N-[(2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111266891
1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea
CID 86788660
1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
CID 108812055
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
N-[2-(2-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62171019
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea (CID 108900165) is 1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)NCCc2ccccc2F)nc1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is WBZQONAFFROIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-11-6-7-14(18-10-11)19-15(20)17-9-8-12-4-2-3-5-13(12)16/h2-7,10H,8-9H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea?
1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 273.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108900165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).