1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea

C14H14BrN3O — CID 43551396

IUPAC1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(N)cc2Br)cc1
InChIInChI=1S/C14H14BrN3O/c1-9-2-5-11(6-3-9)17-14(19)18-13-7-4-10(16)8-12(13)15/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeySSBJHTQBIZVCRK-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.98
Rot. Bonds2

About 1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea

1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea (PubChem CID 43551396) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea
PubChem CID43551396
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(N)cc2Br)cc1
InChIInChI=1S/C14H14BrN3O/c1-9-2-5-11(6-3-9)17-14(19)18-13-7-4-10(16)8-12(13)15/h2-8H,16H2,1H3,(H2,17,18,19)
InChIKeySSBJHTQBIZVCRK-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'}

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Related Compounds

1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 43551408
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
CID 61345655
1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 43469069
methyl 4-[(2-bromo-4-methylphenyl)carbamoylamino]benzoate
CID 108992383
1-(2-amino-5-methylphenyl)-3-(4-aminophenyl)urea
CID 108897070
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(3-aminophenyl)-3-(2-bromo-5-methylphenyl)urea
CID 82757431
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
CID 60728805
1-(2-bromo-4-methylphenyl)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 50778328
1-(2-bromo-4-methylphenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992513

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea (CID 43551396) is 1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(N)cc2Br)cc1.
What is the InChIKey of 1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea?
The InChIKey is SSBJHTQBIZVCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-2-5-11(6-3-9)17-14(19)18-13-7-4-10(16)8-12(13)15/h2-8H,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea?
1-(4-amino-2-bromophenyl)-3-(4-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-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 43551396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).