3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea

C17H19BrN2O — CID 108899566

IUPAC3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
SMILESCCN(C(=O)NCc1ccc(Br)cc1)c1cccc(C)c1
InChIInChI=1S/C17H19BrN2O/c1-3-20(16-6-4-5-13(2)11-16)17(21)19-12-14-7-9-15(18)10-8-14/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyMRMBFBFPHCMMEU-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.49
Rot. Bonds4

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

3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea (PubChem CID 108899566) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
PubChem CID108899566
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
SMILESCCN(C(=O)NCc1ccc(Br)cc1)c1cccc(C)c1
InChIInChI=1S/C17H19BrN2O/c1-3-20(16-6-4-5-13(2)11-16)17(21)19-12-14-7-9-15(18)10-8-14/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyMRMBFBFPHCMMEU-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518298
2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108998199
N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108962651
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156
N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113057472
N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520362
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
1-ethyl-1-(3-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899788
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967
3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea
CID 112974053

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea?
The IUPAC name of 3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea (CID 108899566) is 3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea is CCN(C(=O)NCc1ccc(Br)cc1)c1cccc(C)c1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea?
The InChIKey is MRMBFBFPHCMMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-20(16-6-4-5-13(2)11-16)17(21)19-12-14-7-9-15(18)10-8-14/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of 3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea?
3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea has a molecular weight of 347.26 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea is sourced from PubChem (CID 108899566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).