3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide

C9H6BrClF3NO2 — CID 113364345

IUPAC3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NOCC(F)(F)F)c1cccc(Br)c1Cl
InChIInChI=1S/C9H6BrClF3NO2/c10-6-3-1-2-5(7(6)11)8(16)15-17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyOSFVRMQKQOWHSS-UHFFFAOYSA-N
MW332.50 g/mol
LogP3.33
Rot. Bonds3

About 3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide

3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 113364345) has the molecular formula C9H6BrClF3NO2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide
PubChem CID113364345
Molecular FormulaC9H6BrClF3NO2
Molecular Weight332.50 g/mol
Exact Mass330.92
IUPAC Name3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NOCC(F)(F)F)c1cccc(Br)c1Cl
InChIInChI=1S/C9H6BrClF3NO2/c10-6-3-1-2-5(7(6)11)8(16)15-17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyOSFVRMQKQOWHSS-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide 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

2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 81341000
2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide
CID 114374002
5-amino-2-bromo-N-(2,2,2-trifluoroethoxy)benzamide
CID 82721457
2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340977
2-chloro-6-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340114
5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 103793439
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
1-(3-bromo-2-chlorophenyl)-5,5,5-trifluoropentan-1-one
CID 115792374
3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103461936
5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 81343082
4-bromo-2-methoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81339730
2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340040

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide (CID 113364345) is 3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide is O=C(NOCC(F)(F)F)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is OSFVRMQKQOWHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF3NO2/c10-6-3-1-2-5(7(6)11)8(16)15-17-4-9(12,13)14/h1-3H,4H2,(H,15,16).
What are the key properties of 3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide?
3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 332.50 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 113364345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).