1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea

C10H13BrN2O2 — CID 75509502

IUPAC1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea
SMILESCc1cccc(NC(=O)NCCO)c1Br
InChIInChI=1S/C10H13BrN2O2/c1-7-3-2-4-8(9(7)11)13-10(15)12-5-6-14/h2-4,14H,5-6H2,1H3,(H2,12,13,15)
InChIKeyIDVZJIBSYSNXPF-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.87
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea

1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea (PubChem CID 75509502) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea
PubChem CID75509502
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea
SMILESCc1cccc(NC(=O)NCCO)c1Br
InChIInChI=1S/C10H13BrN2O2/c1-7-3-2-4-8(9(7)11)13-10(15)12-5-6-14/h2-4,14H,5-6H2,1H3,(H2,12,13,15)
InChIKeyIDVZJIBSYSNXPF-UHFFFAOYSA-N
XLogP1.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)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-(2,3-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47238057
(2R)-2-[(2-bromo-3-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828556
4-[(2-bromo-3-methylphenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103159735
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47237413
1-(2,3-dimethylphenyl)-3-[2-(3-hydroxypropylsulfanyl)ethyl]urea
CID 111105028
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
CID 110894267
1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea
CID 71865833
(2R)-4-amino-2-[(2-bromo-3-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107828557
(2R)-2-[(2-bromo-3-methylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103928212
N-[3-[(2-bromo-3-chlorophenyl)carbamoylamino]propyl]acetamide
CID 99834298
1-(2,3-dimethylphenyl)-3-(3-methylbutyl)urea
CID 47192192

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea (CID 75509502) is 1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea is Cc1cccc(NC(=O)NCCO)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea?
The InChIKey is IDVZJIBSYSNXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-7-3-2-4-8(9(7)11)13-10(15)12-5-6-14/h2-4,14H,5-6H2,1H3,(H2,12,13,15).
What are the key properties of 1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea?
1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea has a molecular weight of 273.13 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 75509502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).