1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea

C15H15BrN2O2 — CID 17284854

IUPAC1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-10-3-8-14(20-2)13(9-10)18-15(19)17-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyQMDCERCDEAQIQN-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.41
Rot. Bonds3

About 1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea

1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 17284854) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
PubChem CID17284854
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-10-3-8-14(20-2)13(9-10)18-15(19)17-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyQMDCERCDEAQIQN-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-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea
CID 47322508
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298
1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 19170100
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 71072413
1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69447816
N'-[[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxy-5-methylphenyl)oxamide
CID 4600849
N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515633
1-[4-[4-(3-bromophenyl)-1,3-oxazol-2-yl]phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 50835711
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 55418016

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea (CID 17284854) is 1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is QMDCERCDEAQIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-3-8-14(20-2)13(9-10)18-15(19)17-12-6-4-11(16)5-7-12/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea?
1-(4-bromophenyl)-3-(2-methoxy-5-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-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 17284854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).