N-[(4-bromo-2-fluorophenyl)methyl]acetamide

C9H9BrFNO — CID 58764031

IUPACN-[(4-bromo-2-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO/c1-6(13)12-5-7-2-3-8(10)4-9(7)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyUONAYJNCPZDKEW-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.22
Rot. Bonds2

About N-[(4-bromo-2-fluorophenyl)methyl]acetamide

N-[(4-bromo-2-fluorophenyl)methyl]acetamide (PubChem CID 58764031) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]acetamide
PubChem CID58764031
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO/c1-6(13)12-5-7-2-3-8(10)4-9(7)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyUONAYJNCPZDKEW-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Benzylacetamide
CID 11500
N-benzyl-2-bromoacetamide
CID 145664
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
N-(4-fluorobenzyl)pentanamide
CID 1741622
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400
N-(2-bromobenzyl)acetamide
CID 2824953
N-[(1R)-1-(4-bromophenyl)ethyl]-3,3-difluoro-1-methylcyclobutane-1-carboxamide
CID 69471397
N-(4-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834418
Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
Benzamide, 4-bromo-2-fluoro-N-methyl-
CID 24694329
N-(4-bromobenzyl)prop-2-en-1-amine
CID 4717878
N-[(1R)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800130

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]acetamide (CID 58764031) is N-[(4-bromo-2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]acetamide is CC(=O)NCc1ccc(Br)cc1F.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]acetamide?
The InChIKey is UONAYJNCPZDKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-6(13)12-5-7-2-3-8(10)4-9(7)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]acetamide?
N-[(4-bromo-2-fluorophenyl)methyl]acetamide has a molecular weight of 246.08 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 58764031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).