1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea

C11H15BrN2O2 — CID 86768816

IUPAC1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea
SMILESCOc1ccc(NC(=O)NC(C)C)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-7(2)13-11(15)14-10-5-4-8(16-3)6-9(10)12/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyYAFTWCAYNUOZHF-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.99
Rot. Bonds3

About 1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea

1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea (PubChem CID 86768816) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea
PubChem CID86768816
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea
SMILESCOc1ccc(NC(=O)NC(C)C)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-7(2)13-11(15)14-10-5-4-8(16-3)6-9(10)12/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyYAFTWCAYNUOZHF-UHFFFAOYSA-N
XLogP2.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-(4-hydroxy-3-methylbutan-2-yl)-3-(4-methoxy-2-methylphenyl)urea
CID 111453406
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454
1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 43551408
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95596162
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009289
N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide
CID 108511999
1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55695604
5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 115412185

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea (CID 86768816) is 1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea is COc1ccc(NC(=O)NC(C)C)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea?
The InChIKey is YAFTWCAYNUOZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7(2)13-11(15)14-10-5-4-8(16-3)6-9(10)12/h4-7H,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea?
1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea has a molecular weight of 287.16 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea is sourced from PubChem (CID 86768816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).