1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea

C10H11BrF2N2O2 — CID 99824396

IUPAC1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H11BrF2N2O2/c11-6-3-8(12)7(9(13)4-6)5-15-10(17)14-1-2-16/h3-4,16H,1-2,5H2,(H2,14,15,17)
InChIKeyLKFOEIWJXLWKQC-UHFFFAOYSA-N
MW309.11 g/mol
LogP1.52
Rot. Bonds4

About 1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea

1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea (PubChem CID 99824396) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea
PubChem CID99824396
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC Name1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCc1c(F)cc(Br)cc1F
InChIInChI=1S/C10H11BrF2N2O2/c11-6-3-8(12)7(9(13)4-6)5-15-10(17)14-1-2-16/h3-4,16H,1-2,5H2,(H2,14,15,17)
InChIKeyLKFOEIWJXLWKQC-UHFFFAOYSA-N
XLogP1.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea (CID 99824396) is 1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)NCc1c(F)cc(Br)cc1F.
What is the InChIKey of 1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea?
The InChIKey is LKFOEIWJXLWKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c11-6-3-8(12)7(9(13)4-6)5-15-10(17)14-1-2-16/h3-4,16H,1-2,5H2,(H2,14,15,17).
What are the key properties of 1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea?
1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea has a molecular weight of 309.11 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2,6-difluorophenyl)methyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 99824396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).