1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea

C16H17BrN2O — CID 108870117

IUPAC1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-3-12-7-4-6-11(2)15(12)19-16(20)18-14-9-5-8-13(17)10-14/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKeyPXDGXRDWNCENMF-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.96
Rot. Bonds3

About 1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea

1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea (PubChem CID 108870117) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea
PubChem CID108870117
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-3-12-7-4-6-11(2)15(12)19-16(20)18-14-9-5-8-13(17)10-14/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKeyPXDGXRDWNCENMF-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
1-(3-bromophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108870095
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
(Z)-3-(3-bromoanilino)-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850867
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866639
N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108986918
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106775
2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 30546775
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea (CID 108870117) is 1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea is CCc1cccc(C)c1NC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea?
The InChIKey is PXDGXRDWNCENMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-3-12-7-4-6-11(2)15(12)19-16(20)18-14-9-5-8-13(17)10-14/h4-10H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea?
1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea has a molecular weight of 333.23 g/mol, XLogP of 4.96, 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-(2-ethyl-6-methylphenyl)urea is sourced from PubChem (CID 108870117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).