1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea

C15H15BrN2O — CID 60728805

IUPAC1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C15H15BrN2O/c1-10-3-6-12(7-4-10)17-15(19)18-13-8-5-11(2)14(16)9-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyPGAJHRHNGGNXGA-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.71
Rot. Bonds2

About 1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea

1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea (PubChem CID 60728805) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
PubChem CID60728805
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C15H15BrN2O/c1-10-3-6-12(7-4-10)17-15(19)18-13-8-5-11(2)14(16)9-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyPGAJHRHNGGNXGA-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-(4-methylphenyl)urea
CID 115663057
2-bromo-5-[(4-methylphenyl)carbamoylamino]benzoic acid
CID 115295945
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
N-(3-bromo-4-methylphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108986806
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298
1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973708
N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 108986891

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea (CID 60728805) is 1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(C)c(Br)c2)cc1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea?
The InChIKey is PGAJHRHNGGNXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-3-6-12(7-4-10)17-15(19)18-13-8-5-11(2)14(16)9-13/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea?
1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea has a molecular weight of 319.20 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 60728805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).