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

C15H14BrFN2O2 — CID 61339972

IUPAC1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1cccc(NC(=O)Nc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrFN2O2/c1-9(20)10-3-2-4-12(7-10)18-15(21)19-14-8-11(16)5-6-13(14)17/h2-9,20H,1H3,(H2,18,19,21)
InChIKeyNKSWTKCRURPOJX-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.29
Rot. Bonds3

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

1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea (PubChem CID 61339972) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
PubChem CID61339972
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1cccc(NC(=O)Nc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrFN2O2/c1-9(20)10-3-2-4-12(7-10)18-15(21)19-14-8-11(16)5-6-13(14)17/h2-9,20H,1H3,(H2,18,19,21)
InChIKeyNKSWTKCRURPOJX-UHFFFAOYSA-N
XLogP4.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341059
1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
CID 61345864
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-(3-chloro-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348008
4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391
2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841390
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 83168791
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea (CID 61339972) is 1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea is CC(O)c1cccc(NC(=O)Nc2cc(Br)ccc2F)c1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The InChIKey is NKSWTKCRURPOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-9(20)10-3-2-4-12(7-10)18-15(21)19-14-8-11(16)5-6-13(14)17/h2-9,20H,1H3,(H2,18,19,21).
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea has a molecular weight of 353.19 g/mol, XLogP of 4.29, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 61339972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).