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

C17H19BrN2O — CID 52543091

IUPAC1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccc(NC(=O)NCCc2ccccc2C)c(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-12-7-8-16(15(18)11-12)20-17(21)19-10-9-14-6-4-3-5-13(14)2/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyCRCJEPDOUNABPH-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.43
Rot. Bonds4

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

1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea (PubChem CID 52543091) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
PubChem CID52543091
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccc(NC(=O)NCCc2ccccc2C)c(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-12-7-8-16(15(18)11-12)20-17(21)19-10-9-14-6-4-3-5-13(14)2/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyCRCJEPDOUNABPH-UHFFFAOYSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899779
1-(2-bromo-4-methylphenyl)-3-[2-(dimethylamino)ethyl]urea
CID 108988244
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019380
1-(2-bromo-4-methylphenyl)-3-butylurea
CID 28787465
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
1-[2-(2-bromophenyl)ethyl]-3-(4-iodo-2-methylphenyl)urea
CID 108900513
1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 5094331
1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea
CID 108900542
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea (CID 52543091) is 1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea is Cc1ccc(NC(=O)NCCc2ccccc2C)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The InChIKey is CRCJEPDOUNABPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12-7-8-16(15(18)11-12)20-17(21)19-10-9-14-6-4-3-5-13(14)2/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea?
1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea has a molecular weight of 347.26 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 52543091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).