2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide

C10H11BrFNO — CID 84583280

IUPAC2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO/c1-13(2)10(14)6-7-3-4-9(12)8(11)5-7/h3-5H,6H2,1-2H3
InChIKeyYKAKOSSJUFXWRQ-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.22
Rot. Bonds2

About 2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide

2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide (PubChem CID 84583280) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide
PubChem CID84583280
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO/c1-13(2)10(14)6-7-3-4-9(12)8(11)5-7/h3-5H,6H2,1-2H3
InChIKeyYKAKOSSJUFXWRQ-UHFFFAOYSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide (CID 84583280) is 2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide?
The InChIKey is YKAKOSSJUFXWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-13(2)10(14)6-7-3-4-9(12)8(11)5-7/h3-5H,6H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide?
2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide has a molecular weight of 260.11 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 84583280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).