1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea

C11H15BrN2O3 — CID 110930838

IUPAC1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
SMILESCCOc1ccc(Br)cc1NC(=O)NCCO
InChIInChI=1S/C11H15BrN2O3/c1-2-17-10-4-3-8(12)7-9(10)14-11(16)13-5-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,13,14,16)
InChIKeyFPYKVCRMVVRDMB-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.96
Rot. Bonds5

About 1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea

1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea (PubChem CID 110930838) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
PubChem CID110930838
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
SMILESCCOc1ccc(Br)cc1NC(=O)NCCO
InChIInChI=1S/C11H15BrN2O3/c1-2-17-10-4-3-8(12)7-9(10)14-11(16)13-5-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,13,14,16)
InChIKeyFPYKVCRMVVRDMB-UHFFFAOYSA-N
XLogP1.96
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-ethoxyphenyl)carbamoylamino]butanoic acid
CID 122079209
1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754866
3-[[5-bromo-2-(2-ethoxyethoxy)phenyl]carbamoylamino]propanoic acid
CID 122089119
3-(5-bromo-2-ethoxyanilino)propan-1-ol
CID 84586742
3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide
CID 119300663
1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
3-(5-bromo-2-ethoxyanilino)propane-1,2-diol
CID 168596387
1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea
CID 108898949
1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea
CID 46859910
(2S)-4-[(5-bromo-2-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107839110
N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119300666
1-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea (CID 110930838) is 1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea is CCOc1ccc(Br)cc1NC(=O)NCCO.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea?
The InChIKey is FPYKVCRMVVRDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-2-17-10-4-3-8(12)7-9(10)14-11(16)13-5-6-15/h3-4,7,15H,2,5-6H2,1H3,(H2,13,14,16).
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea?
1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea has a molecular weight of 303.16 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110930838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).