1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea

C13H18BrN3O3 — CID 126831123

IUPAC1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1cc(N2CCOCC2)ccc1Br
InChIInChI=1S/C13H18BrN3O3/c14-11-2-1-10(17-4-7-20-8-5-17)9-12(11)16-13(19)15-3-6-18/h1-2,9,18H,3-8H2,(H2,15,16,19)
InChIKeyCSNUGYUGMXCOGO-UHFFFAOYSA-N
MW344.21 g/mol
LogP1.40
Rot. Bonds4

About 1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea

1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea (PubChem CID 126831123) has the molecular formula C13H18BrN3O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is 1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea
PubChem CID126831123
Molecular FormulaC13H18BrN3O3
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC Name1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)Nc1cc(N2CCOCC2)ccc1Br
InChIInChI=1S/C13H18BrN3O3/c14-11-2-1-10(17-4-7-20-8-5-17)9-12(11)16-13(19)15-3-6-18/h1-2,9,18H,3-8H2,(H2,15,16,19)
InChIKeyCSNUGYUGMXCOGO-UHFFFAOYSA-N
XLogP1.40
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-5-morpholin-4-ylphenyl)-3-ethoxyurea
CID 126831122
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
1-[2-(4-fluorophenyl)ethyl]-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 34692095
2-chloro-N-(2-chloro-5-morpholin-4-ylphenyl)acetamide
CID 43822469
N-(2-bromophenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110425885
2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide
CID 110359755
1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 15989534
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
1-(2,5-dipyrrolidin-1-ylphenyl)-3-propylurea
CID 110400361
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylpropanamide
CID 110362575
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine
CID 163917311

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea (CID 126831123) is 1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea is O=C(NCCO)Nc1cc(N2CCOCC2)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea?
The InChIKey is CSNUGYUGMXCOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3/c14-11-2-1-10(17-4-7-20-8-5-17)9-12(11)16-13(19)15-3-6-18/h1-2,9,18H,3-8H2,(H2,15,16,19).
What are the key properties of 1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea?
1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea has a molecular weight of 344.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-morpholin-4-ylphenyl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 126831123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).