N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide

C10H12BrFN2O — CID 107592352

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C10H12BrFN2O/c1-6-3-8(12)7(11)4-9(6)14-10(15)5-13-2/h3-4,13H,5H2,1-2H3,(H,14,15)
InChIKeyVXOOJUQFUBNNEJ-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.05
Rot. Bonds3

About N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide

N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide (PubChem CID 107592352) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
PubChem CID107592352
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C10H12BrFN2O/c1-6-3-8(12)7(11)4-9(6)14-10(15)5-13-2/h3-4,13H,5H2,1-2H3,(H,14,15)
InChIKeyVXOOJUQFUBNNEJ-UHFFFAOYSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide
CID 107592531
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 103274575
3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea
CID 103269164
2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide
CID 99831900
N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 103274665
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
CID 103274772
ethyl 2-(5-bromo-4-fluoro-2-methylanilino)-2-oxoacetate
CID 107593469

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide (CID 107592352) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide is CNCC(=O)Nc1cc(Br)c(F)cc1C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide?
The InChIKey is VXOOJUQFUBNNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-6-3-8(12)7(11)4-9(6)14-10(15)5-13-2/h3-4,13H,5H2,1-2H3,(H,14,15).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide has a molecular weight of 275.12 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 107592352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).