N-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide

C10H11BrFNO — CID 22660903

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO/c1-7(14)13(2)6-8-3-4-10(12)9(11)5-8/h3-5H,6H2,1-2H3
InChIKeyZEDBXEZXRDUGQI-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.57
Rot. Bonds2

About N-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide

N-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 22660903) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID22660903
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C10H11BrFNO/c1-7(14)13(2)6-8-3-4-10(12)9(11)5-8/h3-5H,6H2,1-2H3
InChIKeyZEDBXEZXRDUGQI-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide (CID 22660903) is N-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is ZEDBXEZXRDUGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-7(14)13(2)6-8-3-4-10(12)9(11)5-8/h3-5H,6H2,1-2H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide?
N-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 260.11 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 22660903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).