1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea

C18H19BrN2O — CID 113214075

IUPAC1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
SMILESCc1ccc(C2(CNC(=O)Nc3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H19BrN2O/c1-13-2-4-14(5-3-13)18(10-11-18)12-20-17(22)21-16-8-6-15(19)7-9-16/h2-9H,10-12H2,1H3,(H2,20,21,22)
InChIKeyCFKYOZCHOBHEIA-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.61
Rot. Bonds4

About 1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea

1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea (PubChem CID 113214075) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
PubChem CID113214075
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
SMILESCc1ccc(C2(CNC(=O)Nc3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H19BrN2O/c1-13-2-4-14(5-3-13)18(10-11-18)12-20-17(22)21-16-8-6-15(19)7-9-16/h2-9H,10-12H2,1H3,(H2,20,21,22)
InChIKeyCFKYOZCHOBHEIA-UHFFFAOYSA-N
XLogP4.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea
CID 113214060
1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214100
1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215296
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214053
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214403
1-butyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113213956
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 113214301
1-(4-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214748

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea (CID 113214075) is 1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea is Cc1ccc(C2(CNC(=O)Nc3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea?
The InChIKey is CFKYOZCHOBHEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-13-2-4-14(5-3-13)18(10-11-18)12-20-17(22)21-16-8-6-15(19)7-9-16/h2-9H,10-12H2,1H3,(H2,20,21,22).
What are the key properties of 1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea?
1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea has a molecular weight of 359.27 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 113214075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).