1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea

C18H21BrN2O2 — CID 112973708

IUPAC1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
SMILESCc1ccc(OCCNC(=O)Nc2ccc(C)c(Br)c2)c(C)c1
InChIInChI=1S/C18H21BrN2O2/c1-12-4-7-17(14(3)10-12)23-9-8-20-18(22)21-15-6-5-13(2)16(19)11-15/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyDRXIBOZZSGOVDX-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.57
Rot. Bonds5

About 1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea

1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea (PubChem CID 112973708) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
PubChem CID112973708
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
SMILESCc1ccc(OCCNC(=O)Nc2ccc(C)c(Br)c2)c(C)c1
InChIInChI=1S/C18H21BrN2O2/c1-12-4-7-17(14(3)10-12)23-9-8-20-18(22)21-15-6-5-13(2)16(19)11-15/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyDRXIBOZZSGOVDX-UHFFFAOYSA-N
XLogP4.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]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-(3-bromo-4-methylphenyl)-3-[2-(2-chloro-5-methylphenoxy)ethyl]urea
CID 112976901
1-(4-chlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973699
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973207
1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974475
1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea
CID 108870709
2-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463852
1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601
1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975399
1-(3,5-dimethylphenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975337
1-(4-bromophenyl)-3-[2-(2-chloro-5-methylphenoxy)ethyl]urea
CID 112976900
1-[2-(dimethylamino)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973611

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea (CID 112973708) is 1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea is Cc1ccc(OCCNC(=O)Nc2ccc(C)c(Br)c2)c(C)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea?
The InChIKey is DRXIBOZZSGOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-12-4-7-17(14(3)10-12)23-9-8-20-18(22)21-15-6-5-13(2)16(19)11-15/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea?
1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea has a molecular weight of 377.28 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112973708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).