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

C12H15BrFNO3 — CID 103274903

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C12H15BrFNO3/c1-8-5-10(14)9(13)6-11(8)15-12(16)7-18-4-3-17-2/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyNCDPWJBNSFJYEO-UHFFFAOYSA-N
MW320.16 g/mol
LogP2.50
Rot. Bonds6

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

N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide (PubChem CID 103274903) has the molecular formula C12H15BrFNO3 and a molecular weight of 320.16 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
PubChem CID103274903
Molecular FormulaC12H15BrFNO3
Molecular Weight320.16 g/mol
Exact Mass319.02
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C12H15BrFNO3/c1-8-5-10(14)9(13)6-11(8)15-12(16)7-18-4-3-17-2/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyNCDPWJBNSFJYEO-UHFFFAOYSA-N
XLogP2.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide (CID 103274903) is N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1cc(Br)c(F)cc1C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is NCDPWJBNSFJYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3/c1-8-5-10(14)9(13)6-11(8)15-12(16)7-18-4-3-17-2/h5-6H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 320.16 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 103274903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).