1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

C15H21BrN2O2 — CID 111473081

IUPAC1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCc1ccc(NC(=O)NC2CCCC2(C)CO)c(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-10-5-6-12(11(16)8-10)17-14(20)18-13-4-3-7-15(13,2)9-19/h5-6,8,13,19H,3-4,7,9H2,1-2H3,(H2,17,18,20)
InChIKeyRSEPBYXLEJETDO-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.43
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (PubChem CID 111473081) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
PubChem CID111473081
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCc1ccc(NC(=O)NC2CCCC2(C)CO)c(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-10-5-6-12(11(16)8-10)17-14(20)18-13-4-3-7-15(13,2)9-19/h5-6,8,13,19H,3-4,7,9H2,1-2H3,(H2,17,18,20)
InChIKeyRSEPBYXLEJETDO-UHFFFAOYSA-N
XLogP3.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472645
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111474343
2-[(2-fluoro-4-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764317
1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925840
2-[(2-bromo-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64815711
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
3-[(2-bromo-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031810
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 111486885
2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107627661
2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline
CID 79864735

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (CID 111473081) is 1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is Cc1ccc(NC(=O)NC2CCCC2(C)CO)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The InChIKey is RSEPBYXLEJETDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-5-6-12(11(16)8-10)17-14(20)18-13-4-3-7-15(13,2)9-19/h5-6,8,13,19H,3-4,7,9H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea has a molecular weight of 341.25 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is sourced from PubChem (CID 111473081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).