2-bromo-N-(2,4,5-trifluorophenyl)acetamide

C8H5BrF3NO — CID 63678606

IUPAC2-bromo-N-(2,4,5-trifluorophenyl)acetamide
SMILESO=C(CBr)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C8H5BrF3NO/c9-3-8(14)13-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2,(H,13,14)
InChIKeyAGSXTWRBCUCOGA-UHFFFAOYSA-N
MW268.03 g/mol
LogP2.44
Rot. Bonds2

About 2-bromo-N-(2,4,5-trifluorophenyl)acetamide

2-bromo-N-(2,4,5-trifluorophenyl)acetamide (PubChem CID 63678606) has the molecular formula C8H5BrF3NO and a molecular weight of 268.03 g/mol. Its IUPAC name is 2-bromo-N-(2,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2,4,5-trifluorophenyl)acetamide
PubChem CID63678606
Molecular FormulaC8H5BrF3NO
Molecular Weight268.03 g/mol
Exact Mass266.95
IUPAC Name2-bromo-N-(2,4,5-trifluorophenyl)acetamide
SMILESO=C(CBr)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C8H5BrF3NO/c9-3-8(14)13-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2,(H,13,14)
InChIKeyAGSXTWRBCUCOGA-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-bromo-N-(2,4,5-trifluorophenyl)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

2-bromo-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107610790
5-[(2-bromoacetyl)amino]-2,4-difluorobenzoic acid
CID 63679678
N-(2,4,5-trifluorophenyl)propanamide
CID 63372836
(2,4,5-trifluorophenyl)carbamic acid
CID 89413895
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
2-(2-hydroxyphenyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 80741188
2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 79853699
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
2-[(2-bromoacetyl)amino]-4-fluorobenzoic acid
CID 18929235
1,1-diethyl-3-(2,4,5-trifluorophenyl)urea
CID 115613885
4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride
CID 120588070
2-(4-aminophenoxy)-N-(2,4,5-trifluorophenyl)acetamide
CID 62816214

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-bromo-N-(2,4,5-trifluorophenyl)acetamide (CID 63678606) is 2-bromo-N-(2,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-bromo-N-(2,4,5-trifluorophenyl)acetamide is O=C(CBr)Nc1cc(F)c(F)cc1F.
What is the InChIKey of 2-bromo-N-(2,4,5-trifluorophenyl)acetamide?
The InChIKey is AGSXTWRBCUCOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO/c9-3-8(14)13-7-2-5(11)4(10)1-6(7)12/h1-2H,3H2,(H,13,14).
What are the key properties of 2-bromo-N-(2,4,5-trifluorophenyl)acetamide?
2-bromo-N-(2,4,5-trifluorophenyl)acetamide has a molecular weight of 268.03 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 63678606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).