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

C16H17BrFN3O — CID 48636675

IUPAC1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea
SMILESCC(NC(=O)NCCc1cc(Br)ccc1F)c1ccccn1
InChIInChI=1S/C16H17BrFN3O/c1-11(15-4-2-3-8-19-15)21-16(22)20-9-7-12-10-13(17)5-6-14(12)18/h2-6,8,10-11H,7,9H2,1H3,(H2,20,21,22)
InChIKeyZPOIXWRNPSXCAT-UHFFFAOYSA-N
MW366.23 g/mol
LogP3.59
Rot. Bonds5

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

1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea (PubChem CID 48636675) has the molecular formula C16H17BrFN3O and a molecular weight of 366.23 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea
PubChem CID48636675
Molecular FormulaC16H17BrFN3O
Molecular Weight366.23 g/mol
Exact Mass365.05
IUPAC Name1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea
SMILESCC(NC(=O)NCCc1cc(Br)ccc1F)c1ccccn1
InChIInChI=1S/C16H17BrFN3O/c1-11(15-4-2-3-8-19-15)21-16(22)20-9-7-12-10-13(17)5-6-14(12)18/h2-6,8,10-11H,7,9H2,1H3,(H2,20,21,22)
InChIKeyZPOIXWRNPSXCAT-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 48629926
1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36962482
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431185
N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide
CID 42954179
1-(4-phenylbutyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36520752
1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 51944656
1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512687
N,N-dimethyl-3-[2-(1-pyridin-2-ylethylcarbamoylamino)ethyl]benzamide
CID 71990686
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 65307460
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119745625
N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide
CID 94656519
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119745605

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea (CID 48636675) is 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea is CC(NC(=O)NCCc1cc(Br)ccc1F)c1ccccn1.
What is the InChIKey of 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea?
The InChIKey is ZPOIXWRNPSXCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3O/c1-11(15-4-2-3-8-19-15)21-16(22)20-9-7-12-10-13(17)5-6-14(12)18/h2-6,8,10-11H,7,9H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea?
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea has a molecular weight of 366.23 g/mol, XLogP of 3.59, 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-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 48636675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).