1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

C14H21BrN2O3 — CID 111754866

IUPAC1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCCOc1ccc(Br)cc1NC(=O)NC(C)(C)CCO
InChIInChI=1S/C14H21BrN2O3/c1-4-20-12-6-5-10(15)9-11(12)16-13(19)17-14(2,3)7-8-18/h5-6,9,18H,4,7-8H2,1-3H3,(H2,16,17,19)
InChIKeyWSGIOWRNHJCAIR-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.13
Rot. Bonds6

About 1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111754866) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111754866
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCCOc1ccc(Br)cc1NC(=O)NC(C)(C)CCO
InChIInChI=1S/C14H21BrN2O3/c1-4-20-12-6-5-10(15)9-11(12)16-13(19)17-14(2,3)7-8-18/h5-6,9,18H,4,7-8H2,1-3H3,(H2,16,17,19)
InChIKeyWSGIOWRNHJCAIR-UHFFFAOYSA-N
XLogP3.13
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 110930838
1-(2-ethoxy-4-fluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754658
4-[(5-bromo-2-ethoxyphenyl)carbamoylamino]butanoic acid
CID 122079209
3-(5-bromo-2-ethoxyanilino)propan-1-ol
CID 84586742
3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide
CID 119300663
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 75424341
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926883
1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894507
3-(5-bromo-2-ethoxyanilino)propane-1,2-diol
CID 168596387
N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119300666
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111474249
4-[(4-bromo-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62049442

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (CID 111754866) is 1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is CCOc1ccc(Br)cc1NC(=O)NC(C)(C)CCO.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is WSGIOWRNHJCAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-4-20-12-6-5-10(15)9-11(12)16-13(19)17-14(2,3)7-8-18/h5-6,9,18H,4,7-8H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 345.24 g/mol, XLogP of 3.13, 6 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-(4-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111754866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).