2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide

C10H9BrF4N2O — CID 86816004

IUPAC2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide
SMILESO=C(CNc1c(F)cc(F)cc1Br)NCC(F)F
InChIInChI=1S/C10H9BrF4N2O/c11-6-1-5(12)2-7(13)10(6)17-4-9(18)16-3-8(14)15/h1-2,8,17H,3-4H2,(H,16,18)
InChIKeyNJXNOMVPEXEBFI-UHFFFAOYSA-N
MW329.09 g/mol
LogP2.52
Rot. Bonds5

About 2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide

2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide (PubChem CID 86816004) has the molecular formula C10H9BrF4N2O and a molecular weight of 329.09 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide
PubChem CID86816004
Molecular FormulaC10H9BrF4N2O
Molecular Weight329.09 g/mol
Exact Mass327.98
IUPAC Name2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide
SMILESO=C(CNc1c(F)cc(F)cc1Br)NCC(F)F
InChIInChI=1S/C10H9BrF4N2O/c11-6-1-5(12)2-7(13)10(6)17-4-9(18)16-3-8(14)15/h1-2,8,17H,3-4H2,(H,16,18)
InChIKeyNJXNOMVPEXEBFI-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.09
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)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-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide
CID 54956526
2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide
CID 43168324
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107611469
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60900638
2-anilino-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 60703391
2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide
CID 77028981
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide
CID 113341656
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide
CID 61488153
2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43347738
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide?
The IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide (CID 86816004) is 2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide is O=C(CNc1c(F)cc(F)cc1Br)NCC(F)F.
What is the InChIKey of 2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide?
The InChIKey is NJXNOMVPEXEBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF4N2O/c11-6-1-5(12)2-7(13)10(6)17-4-9(18)16-3-8(14)15/h1-2,8,17H,3-4H2,(H,16,18).
What are the key properties of 2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide?
2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide has a molecular weight of 329.09 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide is sourced from PubChem (CID 86816004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).