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

C11H14BrFN2O2 — CID 48716645

IUPAC1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCCc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFN2O2/c12-9-1-2-10(13)8(7-9)3-4-14-11(17)15-5-6-16/h1-2,7,16H,3-6H2,(H2,14,15,17)
InChIKeyZGJRVWFSBBQJFV-UHFFFAOYSA-N
MW305.15 g/mol
LogP1.42
Rot. Bonds5

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

1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(2-hydroxyethyl)urea (PubChem CID 48716645) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
PubChem CID48716645
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC Name1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCCc1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFN2O2/c12-9-1-2-10(13)8(7-9)3-4-14-11(17)15-5-6-16/h1-2,7,16H,3-6H2,(H2,14,15,17)
InChIKeyZGJRVWFSBBQJFV-UHFFFAOYSA-N
XLogP1.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(2-hydroxyethyl)urea (CID 48716645) is 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)NCCc1cc(Br)ccc1F.
What is the InChIKey of 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(2-hydroxyethyl)urea?
The InChIKey is ZGJRVWFSBBQJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c12-9-1-2-10(13)8(7-9)3-4-14-11(17)15-5-6-16/h1-2,7,16H,3-6H2,(H2,14,15,17).
What are the key properties of 1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(2-hydroxyethyl)urea?
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(2-hydroxyethyl)urea has a molecular weight of 305.15 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 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-(2-hydroxyethyl)urea is sourced from PubChem (CID 48716645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).