1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea

C15H15BrN2O — CID 108869298

IUPAC1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN2O/c1-10-3-4-11(2)14(9-10)18-15(19)17-13-7-5-12(16)6-8-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyCGMKXGSNJUFULP-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.71
Rot. Bonds2

About 1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea

1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea (PubChem CID 108869298) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
PubChem CID108869298
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H15BrN2O/c1-10-3-4-11(2)14(9-10)18-15(19)17-13-7-5-12(16)6-8-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyCGMKXGSNJUFULP-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 168974118
2-N-(4-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141603
1-N-(4-bromophenyl)-1-N'-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981325
1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 43806631
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(4-bromophenyl)-3-[5-[(4-bromophenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]urea
CID 4860693
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
CID 60728805
1-(2-bromo-5-methylphenyl)-3-phenylurea
CID 82707314
(2S)-2-(4-bromophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 7376118
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea?
The IUPAC name of 1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea (CID 108869298) is 1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea?
The canonical SMILES for 1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea is Cc1ccc(C)c(NC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea?
The InChIKey is CGMKXGSNJUFULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-3-4-11(2)14(9-10)18-15(19)17-13-7-5-12(16)6-8-13/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea?
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea has a molecular weight of 319.20 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea is sourced from PubChem (CID 108869298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).