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

C16H17BrN2O — CID 3790845

IUPAC1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H17BrN2O/c1-11-3-5-13(6-4-11)10-18-16(20)19-15-8-7-14(17)9-12(15)2/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyFIIRAVJFZNZOBE-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.39
Rot. Bonds3

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

1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 3790845) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea
PubChem CID3790845
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H17BrN2O/c1-11-3-5-13(6-4-11)10-18-16(20)19-15-8-7-14(17)9-12(15)2/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyFIIRAVJFZNZOBE-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(4-bromo-2-methylphenyl)-N-[(4-methylphenyl)methyl]propanediamide
CID 108945836
1-(2,4-dimethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3822404
1-(4-bromo-2-methylphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 52565167
3-[(4-bromo-2-methylphenyl)carbamoylamino]propanoic acid
CID 61181043
1-(4-bromo-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437547
1-(2-bromo-4-methylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 47195659
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 17263304
1-[(2-bromophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 108897860
1-(4-bromo-2-methylphenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112974036
1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 55792899
N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520368

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea (CID 3790845) is 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is FIIRAVJFZNZOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-3-5-13(6-4-11)10-18-16(20)19-15-8-7-14(17)9-12(15)2/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea?
1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 333.23 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 3790845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).