1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea

C11H14BrFN2O — CID 103274772

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C11H14BrFN2O/c1-3-4-14-11(16)15-10-6-8(12)9(13)5-7(10)2/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyBPZIQARKOLLXGG-UHFFFAOYSA-N
MW289.15 g/mol
LogP3.43
Rot. Bonds3

About 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea

1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea (PubChem CID 103274772) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
PubChem CID103274772
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C11H14BrFN2O/c1-3-4-14-11(16)15-10-6-8(12)9(13)5-7(10)2/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyBPZIQARKOLLXGG-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]pentanoic acid
CID 107593189
1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea
CID 119035065
1-[[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 107593195
(2R)-2-[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]pentanoic acid
CID 107593172
1-(4-bromo-5-fluoro-2-methylphenyl)-3-(2-methylpropyl)urea
CID 161143801
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
ethyl 2-(5-bromo-4-fluoro-2-methylanilino)-2-oxoacetate
CID 107593469
3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107590868
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanopentanamide
CID 107592367
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592265
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592355

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea (CID 103274772) is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea is CCCNC(=O)Nc1cc(Br)c(F)cc1C.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea?
The InChIKey is BPZIQARKOLLXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-3-4-14-11(16)15-10-6-8(12)9(13)5-7(10)2/h5-6H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea?
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea has a molecular weight of 289.15 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea is sourced from PubChem (CID 103274772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).