1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea

C15H15BrN2O2 — CID 43806631

IUPAC1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(Br)ccc2C)cc1
InChIInChI=1S/C15H15BrN2O2/c1-10-3-4-11(16)9-14(10)18-15(19)17-12-5-7-13(20-2)8-6-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyUVNLWSHUZLBANW-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.41
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea

1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea (PubChem CID 43806631) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea
PubChem CID43806631
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(Br)ccc2C)cc1
InChIInChI=1S/C15H15BrN2O2/c1-10-3-4-11(16)9-14(10)18-15(19)17-12-5-7-13(20-2)8-6-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyUVNLWSHUZLBANW-UHFFFAOYSA-N
XLogP4.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502691
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
CID 108955636
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 43551408
1-(4-bromophenyl)-3-[5-[(4-bromophenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]urea
CID 4860693
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea
CID 51088888
1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea
CID 168974151
1-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 35279656

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea (CID 43806631) is 1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2cc(Br)ccc2C)cc1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea?
The InChIKey is UVNLWSHUZLBANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-3-4-11(16)9-14(10)18-15(19)17-12-5-7-13(20-2)8-6-12/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea?
1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea has a molecular weight of 335.20 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 43806631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).