1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

C12H17BrN2O2 — CID 110894507

IUPAC1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCc1ccc(Br)cc1NC(=O)NC(C)(C)CO
InChIInChI=1S/C12H17BrN2O2/c1-8-4-5-9(13)6-10(8)14-11(17)15-12(2,3)7-16/h4-6,16H,7H2,1-3H3,(H2,14,15,17)
InChIKeyRSRWIWSNHKIBKC-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.65
Rot. Bonds3

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

1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (PubChem CID 110894507) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
PubChem CID110894507
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCc1ccc(Br)cc1NC(=O)NC(C)(C)CO
InChIInChI=1S/C12H17BrN2O2/c1-8-4-5-9(13)6-10(8)14-11(17)15-12(2,3)7-16/h4-6,16H,7H2,1-3H3,(H2,14,15,17)
InChIKeyRSRWIWSNHKIBKC-UHFFFAOYSA-N
XLogP2.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894509
(2S)-2-[(5-bromo-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005442
4-[(4-bromo-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62049442
3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide
CID 115426300
(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346
2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 76887238
1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111113088
1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 111976910
1-(5-bromo-2-methylphenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473854
tert-butyl 2-(5-bromo-2-methylanilino)-2-oxoacetate
CID 115141643
1-(5-bromo-2-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754866
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (CID 110894507) is 1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is Cc1ccc(Br)cc1NC(=O)NC(C)(C)CO.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The InChIKey is RSRWIWSNHKIBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8-4-5-9(13)6-10(8)14-11(17)15-12(2,3)7-16/h4-6,16H,7H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea has a molecular weight of 301.18 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 110894507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).