2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide

C9H8Br2FNO — CID 63679531

IUPAC2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
SMILESO=C(CBr)NCc1cc(F)ccc1Br
InChIInChI=1S/C9H8Br2FNO/c10-4-9(14)13-5-6-3-7(12)1-2-8(6)11/h1-3H,4-5H2,(H,13,14)
InChIKeyAKOFQKUWCUXYQC-UHFFFAOYSA-N
MW324.98 g/mol
LogP2.60
Rot. Bonds3

About 2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide

2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide (PubChem CID 63679531) has the molecular formula C9H8Br2FNO and a molecular weight of 324.98 g/mol. Its IUPAC name is 2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
PubChem CID63679531
Molecular FormulaC9H8Br2FNO
Molecular Weight324.98 g/mol
Exact Mass322.90
IUPAC Name2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
SMILESO=C(CBr)NCc1cc(F)ccc1Br
InChIInChI=1S/C9H8Br2FNO/c10-4-9(14)13-5-6-3-7(12)1-2-8(6)11/h1-3H,4-5H2,(H,13,14)
InChIKeyAKOFQKUWCUXYQC-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.98
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
methyl 4-[(2-bromo-5-fluorophenyl)methylamino]-4-oxobutanoate
CID 47312249
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 54902515
2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 61140407
3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]prop-2-ynamide
CID 131097698
N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide
CID 54902470
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
CID 61017025
6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 47063585
3-(2-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]propanamide
CID 107272903
1-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61016742
2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide
CID 81089667

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide (CID 63679531) is 2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide is O=C(CBr)NCc1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide?
The InChIKey is AKOFQKUWCUXYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2FNO/c10-4-9(14)13-5-6-3-7(12)1-2-8(6)11/h1-3H,4-5H2,(H,13,14).
What are the key properties of 2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide?
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide has a molecular weight of 324.98 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 63679531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).