1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea

C15H15BrN2O — CID 108894214

IUPAC1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H15BrN2O/c1-10-5-3-4-6-13(10)17-15(19)18-14-8-7-12(16)9-11(14)2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyMSBDUEKZOGRQPL-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.71
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea

1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea (PubChem CID 108894214) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
PubChem CID108894214
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H15BrN2O/c1-10-5-3-4-6-13(10)17-15(19)18-14-8-7-12(16)9-11(14)2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyMSBDUEKZOGRQPL-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

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1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
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1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea (CID 108894214) is 1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea?
The InChIKey is MSBDUEKZOGRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-5-3-4-6-13(10)17-15(19)18-14-8-7-12(16)9-11(14)2/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea?
1-(4-bromo-2-methylphenyl)-3-(2-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-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 108894214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).