3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide

C9H7Br2F2NO — CID 130552052

IUPAC3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide
SMILESO=C(NCC(F)(F)Br)c1cccc(Br)c1
InChIInChI=1S/C9H7Br2F2NO/c10-7-3-1-2-6(4-7)8(15)14-5-9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyDUVRDLJJSWJGBC-UHFFFAOYSA-N
MW342.97 g/mol
LogP3.17
Rot. Bonds3

About 3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide

3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide (PubChem CID 130552052) has the molecular formula C9H7Br2F2NO and a molecular weight of 342.97 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide
PubChem CID130552052
Molecular FormulaC9H7Br2F2NO
Molecular Weight342.97 g/mol
Exact Mass340.89
IUPAC Name3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide
SMILESO=C(NCC(F)(F)Br)c1cccc(Br)c1
InChIInChI=1S/C9H7Br2F2NO/c10-7-3-1-2-6(4-7)8(15)14-5-9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyDUVRDLJJSWJGBC-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.97
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-N-(2-bromo-2,2-difluoroethyl)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

N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
3-bromo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537613
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 113434323
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate
CID 110668964
3-bromo-N-(oxiran-2-ylmethyl)benzamide
CID 102548436
3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide
CID 52599948
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
3-bromo-N-dodecylbenzamide
CID 603918

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide?
The IUPAC name of 3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide (CID 130552052) is 3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide is O=C(NCC(F)(F)Br)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide?
The InChIKey is DUVRDLJJSWJGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2F2NO/c10-7-3-1-2-6(4-7)8(15)14-5-9(11,12)13/h1-4H,5H2,(H,14,15).
What are the key properties of 3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide?
3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide has a molecular weight of 342.97 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide is sourced from PubChem (CID 130552052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).