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

C17H17BrN2O — CID 113215296

IUPAC1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
SMILESCc1ccc(C2(NC(=O)Nc3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C17H17BrN2O/c1-12-2-4-13(5-3-12)17(10-11-17)20-16(21)19-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H2,19,20,21)
InChIKeyFGRJFVCRRGNBQI-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.57
Rot. Bonds3

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

1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea (PubChem CID 113215296) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
PubChem CID113215296
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
SMILESCc1ccc(C2(NC(=O)Nc3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C17H17BrN2O/c1-12-2-4-13(5-3-12)17(10-11-17)20-16(21)19-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H2,19,20,21)
InChIKeyFGRJFVCRRGNBQI-UHFFFAOYSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215332
1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214075
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
1-(2-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215331
1-[1-(4-methylphenyl)cyclopropyl]-3-(4-phenylmethoxyphenyl)urea
CID 113215329
N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 3777057
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215273
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215100
1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea
CID 113215529
1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215717

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea (CID 113215296) is 1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea is Cc1ccc(C2(NC(=O)Nc3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
The InChIKey is FGRJFVCRRGNBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-12-2-4-13(5-3-12)17(10-11-17)20-16(21)19-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea has a molecular weight of 345.24 g/mol, XLogP of 4.57, 3 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]urea is sourced from PubChem (CID 113215296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).