1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea

C14H14BrN3O — CID 82757431

IUPAC1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea
SMILESCc1ccc(Br)c(NC(=O)Nc2cccc(N)c2)c1
InChIInChI=1S/C14H14BrN3O/c1-9-5-6-12(15)13(7-9)18-14(19)17-11-4-2-3-10(16)8-11/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyANKYUTWPUXQVLD-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.98
Rot. Bonds2

About 1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea

1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea (PubChem CID 82757431) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea
PubChem CID82757431
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea
SMILESCc1ccc(Br)c(NC(=O)Nc2cccc(N)c2)c1
InChIInChI=1S/C14H14BrN3O/c1-9-5-6-12(15)13(7-9)18-14(19)17-11-4-2-3-10(16)8-11/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeyANKYUTWPUXQVLD-UHFFFAOYSA-N
XLogP3.98
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)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-bromo-5-methylphenyl)-3-phenylurea
CID 82707314
1-(5-amino-2-bromo-4-methylphenyl)-3-(3-methylphenyl)urea
CID 104814730
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-(3-aminophenyl)-3-(2-ethylphenyl)urea
CID 30050716
1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea
CID 43551396
1-(3-aminophenyl)-3-(4-bromo-2-fluorophenyl)urea
CID 29283371
1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
CID 4549529
(2-bromo-5-methylphenyl)urea
CID 82707313
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea?
The IUPAC name of 1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea (CID 82757431) is 1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea.
What is the SMILES notation for 1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea?
The canonical SMILES for 1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea is Cc1ccc(Br)c(NC(=O)Nc2cccc(N)c2)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea?
The InChIKey is ANKYUTWPUXQVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-5-6-12(15)13(7-9)18-14(19)17-11-4-2-3-10(16)8-11/h2-8H,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea?
1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea has a molecular weight of 320.19 g/mol, XLogP of 3.98, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea is sourced from PubChem (CID 82757431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).