3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea

C11H14BrClN2O — CID 104724220

IUPAC3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C11H14BrClN2O/c1-4-15(3)11(16)14-10-6-9(13)7(2)5-8(10)12/h5-6H,4H2,1-3H3,(H,14,16)
InChIKeyQXLICMOZAPIQPW-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.89
Rot. Bonds2

About 3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea

3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea (PubChem CID 104724220) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea
PubChem CID104724220
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C11H14BrClN2O/c1-4-15(3)11(16)14-10-6-9(13)7(2)5-8(10)12/h5-6H,4H2,1-3H3,(H,14,16)
InChIKeyQXLICMOZAPIQPW-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromo-5-chloro-4-methylphenyl)-1,1-diethylurea
CID 104724253
3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea
CID 78917161
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide
CID 113445559
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723589
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723691
N-(2-bromo-5-chloro-4-methylphenyl)hexanamide
CID 104724053
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119
(E)-4-(2-bromo-5-chloro-4-methylanilino)-4-oxobut-2-enoic acid
CID 104722413
N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide
CID 104723899
2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid
CID 104724802
2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
CID 113445510

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea (CID 104724220) is 3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea is CCN(C)C(=O)Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of 3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea?
The InChIKey is QXLICMOZAPIQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-4-15(3)11(16)14-10-6-9(13)7(2)5-8(10)12/h5-6H,4H2,1-3H3,(H,14,16).
What are the key properties of 3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea?
3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea has a molecular weight of 305.60 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 104724220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).