1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

C13H19BrN2O2 — CID 110894509

IUPAC1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCc1cc(Br)cc(C)c1NC(=O)NC(C)(C)CO
InChIInChI=1S/C13H19BrN2O2/c1-8-5-10(14)6-9(2)11(8)15-12(18)16-13(3,4)7-17/h5-6,17H,7H2,1-4H3,(H2,15,16,18)
InChIKeyVRUALZYGVXVPKO-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.96
Rot. Bonds3

About 1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (PubChem CID 110894509) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
PubChem CID110894509
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCc1cc(Br)cc(C)c1NC(=O)NC(C)(C)CO
InChIInChI=1S/C13H19BrN2O2/c1-8-5-10(14)6-9(2)11(8)15-12(18)16-13(3,4)7-17/h5-6,17H,7H2,1-4H3,(H2,15,16,18)
InChIKeyVRUALZYGVXVPKO-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754639
1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894507
1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47237413
N-(4-bromo-2,6-dimethylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 63681085
N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide
CID 103020703
N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide
CID 880666
5-(4-bromo-2,6-dimethylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47303447
2-[(4-bromo-2,6-dimethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61193488
N-(4-bromo-2,6-dimethylphenyl)-2-cyano-2-methylbutanamide
CID 113270169
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
CID 111976204
2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 61063414
1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108873091

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (CID 110894509) is 1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is Cc1cc(Br)cc(C)c1NC(=O)NC(C)(C)CO.
What is the InChIKey of 1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The InChIKey is VRUALZYGVXVPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-8-5-10(14)6-9(2)11(8)15-12(18)16-13(3,4)7-17/h5-6,17H,7H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea has a molecular weight of 315.21 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 110894509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).