1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea

C16H17BrN2O2 — CID 61341059

IUPAC1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCc1cc(Br)ccc1NC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-8-13(17)6-7-15(10)19-16(21)18-14-5-3-4-12(9-14)11(2)20/h3-9,11,20H,1-2H3,(H2,18,19,21)
InChIKeyJKBOEBMEOLHWNV-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.45
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea

1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea (PubChem CID 61341059) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
PubChem CID61341059
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
SMILESCc1cc(Br)ccc1NC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-8-13(17)6-7-15(10)19-16(21)18-14-5-3-4-12(9-14)11(2)20/h3-9,11,20H,1-2H3,(H2,18,19,21)
InChIKeyJKBOEBMEOLHWNV-UHFFFAOYSA-N
XLogP4.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61339972
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 83168791
1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991649
1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839711
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672
1-[3-(1-aminoethyl)phenyl]-3-(2,4-dimethylphenyl)urea
CID 61341644
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391
1-(4-bromo-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126030
2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841390
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea (CID 61341059) is 1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea is Cc1cc(Br)ccc1NC(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
The InChIKey is JKBOEBMEOLHWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-8-13(17)6-7-15(10)19-16(21)18-14-5-3-4-12(9-14)11(2)20/h3-9,11,20H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea?
1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea has a molecular weight of 349.23 g/mol, XLogP of 4.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 61341059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).