1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea

C15H15BrFN3O — CID 48629926

IUPAC1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCCc1cc(Br)ccc1F)NCc1ccccn1
InChIInChI=1S/C15H15BrFN3O/c16-12-4-5-14(17)11(9-12)6-8-19-15(21)20-10-13-3-1-2-7-18-13/h1-5,7,9H,6,8,10H2,(H2,19,20,21)
InChIKeyOZUNKRKTYQGUIK-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.03
Rot. Bonds5

About 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea

1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 48629926) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID48629926
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCCc1cc(Br)ccc1F)NCc1ccccn1
InChIInChI=1S/C15H15BrFN3O/c16-12-4-5-14(17)11(9-12)6-8-19-15(21)20-10-13-3-1-2-7-18-13/h1-5,7,9H,6,8,10H2,(H2,19,20,21)
InChIKeyOZUNKRKTYQGUIK-UHFFFAOYSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 108902321
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea
CID 48636675
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087210
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 71981705
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
N-[2-(2-fluorophenyl)ethyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea (CID 48629926) is 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea is O=C(NCCc1cc(Br)ccc1F)NCc1ccccn1.
What is the InChIKey of 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is OZUNKRKTYQGUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c16-12-4-5-14(17)11(9-12)6-8-19-15(21)20-10-13-3-1-2-7-18-13/h1-5,7,9H,6,8,10H2,(H2,19,20,21).
What are the key properties of 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea?
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 352.21 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 48629926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).