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

C15H15BrN2O2 — CID 47322508

IUPAC1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea
SMILESCOc1ccc(Br)cc1NC(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H15BrN2O2/c1-10-4-3-5-12(8-10)17-15(19)18-13-9-11(16)6-7-14(13)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyOCEKAKOIMOOKCQ-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.41
Rot. Bonds3

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

1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea (PubChem CID 47322508) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea
PubChem CID47322508
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea
SMILESCOc1ccc(Br)cc1NC(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H15BrN2O2/c1-10-4-3-5-12(8-10)17-15(19)18-13-9-11(16)6-7-14(13)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyOCEKAKOIMOOKCQ-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-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea
CID 75510519
1-(2-methoxy-5-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 51062441
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(3-bromophenyl)-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]urea
CID 155523239
1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide
CID 108953026
2-(5-bromo-2-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 61061796
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
N-(5-acetamido-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 51224557
1-(2-methoxy-5-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50829918

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea (CID 47322508) is 1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea is COc1ccc(Br)cc1NC(=O)Nc1cccc(C)c1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea?
The InChIKey is OCEKAKOIMOOKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-4-3-5-12(8-10)17-15(19)18-13-9-11(16)6-7-14(13)20-2/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea?
1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)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-methoxyphenyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 47322508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).