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

C17H17BrN2O — CID 113215332

IUPAC1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
SMILESCc1ccc(C2(NC(=O)Nc3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C17H17BrN2O/c1-12-5-7-13(8-6-12)17(9-10-17)20-16(21)19-15-4-2-3-14(18)11-15/h2-8,11H,9-10H2,1H3,(H2,19,20,21)
InChIKeyURVSFBBWTQOWLE-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.57
Rot. Bonds3

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

1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea (PubChem CID 113215332) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
PubChem CID113215332
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
SMILESCc1ccc(C2(NC(=O)Nc3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C17H17BrN2O/c1-12-5-7-13(8-6-12)17(9-10-17)20-16(21)19-15-4-2-3-14(18)11-15/h2-8,11H,9-10H2,1H3,(H2,19,20,21)
InChIKeyURVSFBBWTQOWLE-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-methoxyphenyl)cyclopropyl]urea
CID 113215717
1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215296
1-(2-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215331
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215273
1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
1-(3-methylphenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100764603
1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215715
1-(3-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopentyl]urea
CID 52858727
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea
CID 113215529
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
The IUPAC name of 1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea (CID 113215332) is 1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
The canonical SMILES for 1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea is Cc1ccc(C2(NC(=O)Nc3cccc(Br)c3)CC2)cc1.
What is the InChIKey of 1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
The InChIKey is URVSFBBWTQOWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-12-5-7-13(8-6-12)17(9-10-17)20-16(21)19-15-4-2-3-14(18)11-15/h2-8,11H,9-10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea?
1-(3-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-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea is sourced from PubChem (CID 113215332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).