1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

C9H13BrN2O3 — CID 108873091

IUPAC1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCC(C)(CO)NC(=O)Nc1ccc(Br)o1
InChIInChI=1S/C9H13BrN2O3/c1-9(2,5-13)12-8(14)11-7-4-3-6(10)15-7/h3-4,13H,5H2,1-2H3,(H2,11,12,14)
InChIKeyLQZJWYAFXXJBRR-UHFFFAOYSA-N
MW277.12 g/mol
LogP1.93
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (PubChem CID 108873091) has the molecular formula C9H13BrN2O3 and a molecular weight of 277.12 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
PubChem CID108873091
Molecular FormulaC9H13BrN2O3
Molecular Weight277.12 g/mol
Exact Mass276.01
IUPAC Name1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCC(C)(CO)NC(=O)Nc1ccc(Br)o1
InChIInChI=1S/C9H13BrN2O3/c1-9(2,5-13)12-8(14)11-7-4-3-6(10)15-7/h3-4,13H,5H2,1-2H3,(H2,11,12,14)
InChIKeyLQZJWYAFXXJBRR-UHFFFAOYSA-N
XLogP1.93
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide
CID 108873033
N-[4-[(5-bromofuran-2-yl)carbamoylamino]phenyl]acetamide
CID 108872783
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea
CID 108886544
1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894509
1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894507
3-(5-bromofuran-2-yl)-1,1-diethylurea
CID 108872969
1-(5-bromofuran-2-yl)-3-(2,4-dimethylphenyl)urea
CID 108872887
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
CID 43392833
1-benzhydryl-3-(5-bromofuran-2-yl)urea
CID 108872841
1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60781787
1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea
CID 108872832
1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108873114

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (CID 108873091) is 1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is CC(C)(CO)NC(=O)Nc1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The InChIKey is LQZJWYAFXXJBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3/c1-9(2,5-13)12-8(14)11-7-4-3-6(10)15-7/h3-4,13H,5H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea has a molecular weight of 277.12 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 108873091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).