1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea

C12H17BrN2O2 — CID 111472557

IUPAC1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2O2/c1-9(6-7-16)8-14-12(17)15-11-5-3-2-4-10(11)13/h2-5,9,16H,6-8H2,1H3,(H2,14,15,17)
InChIKeyAAZSVZZRIUDVSA-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.59
Rot. Bonds5

About 1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea

1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111472557) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111472557
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2O2/c1-9(6-7-16)8-14-12(17)15-11-5-3-2-4-10(11)13/h2-5,9,16H,6-8H2,1H3,(H2,14,15,17)
InChIKeyAAZSVZZRIUDVSA-UHFFFAOYSA-N
XLogP2.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-bromophenyl)carbamoylamino]-4-methylpentanoic acid
CID 82688840
1-(2-bromophenyl)-3-(2-hydroxypropyl)urea
CID 117235730
1-(4-hydroxy-2-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 66106705
1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 111474002
1-(3-chloro-2-fluorophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473329
1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
CID 111472820
1-(3-bromo-4-chlorophenyl)-3-[(2R)-4-hydroxy-2-methylbutyl]urea
CID 97320276
2-[[(2-bromophenyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107473882
1-(2-bromophenyl)-3-[(2S)-2-(diethylamino)-4-methylpentyl]urea
CID 52590736
1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea
CID 95934166
1-(2-bromophenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120348
2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
CID 66108423

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea (CID 111472557) is 1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is AAZSVZZRIUDVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-9(6-7-16)8-14-12(17)15-11-5-3-2-4-10(11)13/h2-5,9,16H,6-8H2,1H3,(H2,14,15,17).
What are the key properties of 1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea?
1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 301.18 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111472557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).